4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride

C65H74ClN13O19S4 — CID 157274554

IUPAC4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride
SMILESCC1(N)COC1.CC1(NS(=O)(=O)c2ccc(N)cc2)COC1.CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)COC1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC4(C)COC4)cc3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C23H24N4O4S.C12H11N3O2.C10H12N2O5S.C10H14N2O3S.C6H4ClNO4S.C4H9NO/c1-15-3-7-17(8-4-15)19-12-25-22(24)21(26-19)20(28)11-16-5-9-18(10-6-16)32(29,30)27-23(2)13-31-14-23;1-7-2-4-8(5-3-7)9-6-14-11(13)10(15-9)12(16)17;1-10(6-17-7-10)11-18(15,16)9-4-2-8(3-5-9)12(13)14;1-10(6-15-7-10)12-16(13,14)9-4-2-8(11)3-5-9;7-13(11,12)6-3-1-5(2-4-6)8(9)10;1-4(5)2-6-3-4/h3-10,12,27H,11,13-14H2,1-2H3,(H2,24,25);2-6H,1H3,(H2,13,14)(H,16,17);2-5,11H,6-7H2,1H3;2-5,12H,6-7,11H2,1H3;1-4H;2-3,5H2,1H3
InChIKeyAYYAROBKJJFZFB-UHFFFAOYSA-N
MW1505.10 g/mol
LogP6.51
Rot. Bonds18

About 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride

4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride (PubChem CID 157274554) has the molecular formula C65H74ClN13O19S4 and a molecular weight of 1505.10 g/mol. Its IUPAC name is 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride
PubChem CID157274554
Molecular FormulaC65H74ClN13O19S4
Molecular Weight1505.10 g/mol
Exact Mass1503.38
IUPAC Name4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride
SMILESCC1(N)COC1.CC1(NS(=O)(=O)c2ccc(N)cc2)COC1.CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)COC1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC4(C)COC4)cc3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C23H24N4O4S.C12H11N3O2.C10H12N2O5S.C10H14N2O3S.C6H4ClNO4S.C4H9NO/c1-15-3-7-17(8-4-15)19-12-25-22(24)21(26-19)20(28)11-16-5-9-18(10-6-16)32(29,30)27-23(2)13-31-14-23;1-7-2-4-8(5-3-7)9-6-14-11(13)10(15-9)12(16)17;1-10(6-17-7-10)11-18(15,16)9-4-2-8(3-5-9)12(13)14;1-10(6-15-7-10)12-16(13,14)9-4-2-8(11)3-5-9;7-13(11,12)6-3-1-5(2-4-6)8(9)10;1-4(5)2-6-3-4/h3-10,12,27H,11,13-14H2,1-2H3,(H2,24,25);2-6H,1H3,(H2,13,14)(H,16,17);2-5,11H,6-7H2,1H3;2-5,12H,6-7,11H2,1H3;1-4H;2-3,5H2,1H3
InChIKeyAYYAROBKJJFZFB-UHFFFAOYSA-N
XLogP6.51
TPSA505.86 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001505.10
LogP ≤ 56.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Magnesium;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(dimethylphosphorylmethylsulfonyl)phenyl]ethanone;carbanide;dichlorophosphorylmethyl 4-methylbenzenesulfonate;1-dimethylphosphorylethane;1-(dimethylphosphorylmethylsulfanyl)-4-nitrobenzene;4-(dimethylphosphorylmethylsulfonyl)aniline;1-(dimethylphosphorylmethylsulfonyl)-4-nitrobenzene;1-[ethoxy(ethyl)phosphoryl]oxyethane;4-nitrobenzenethiol;bromide
CID 157209669
3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-methylsulfonylbenzenesulfonamide;4-amino-N-methylsulfonylbenzenesulfonamide
CID 157289385
4-Amino-2-fluorobenzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 157328397
3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-2-methylpropanamide;N-(4-aminophenyl)sulfonyl-2-methylpropanamide;2-methyl-N-(4-nitrophenyl)sulfonylpropanamide;2-methylpropanoyl chloride;4-nitrobenzenesulfonamide
CID 157401959
3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonyl-3-phenylmethoxypropanamide;N-(4-aminophenyl)sulfonyl-3-phenylmethoxypropanamide;4-nitrobenzenesulfonamide;N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide;3-phenylmethoxypropanoic acid
CID 157504935
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]methanesulfonamide;(4-aminophenyl)methanesulfonamide
CID 157594177
N-(4-amino-2-fluorophenyl)sulfonylacetamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]sulfonylacetamide
CID 157647099
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[di(propan-2-yloxy)phosphorylmethylsulfonyl]phenyl]ethanone;4-[di(propan-2-yloxy)phosphorylmethylsulfonyl]aniline
CID 157927572
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(oxetan-2-ylmethylsulfonyl)phenyl]ethanone;4-(oxetan-2-ylmethylsulfonyl)aniline
CID 157971146
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;4-(methylsulfonimidoyl)aniline
CID 158212484
3-Amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(oxetan-3-ylmethylsulfonyl)phenyl]ethanone;4-(oxetan-3-ylmethylsulfonyl)aniline
CID 158264674
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;N-(4-aminophenyl)sulfonylacetamide
CID 158300982

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride?
The IUPAC name of 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride (CID 157274554) is 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride?
The canonical SMILES for 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride is CC1(N)COC1.CC1(NS(=O)(=O)c2ccc(N)cc2)COC1.CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)COC1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC4(C)COC4)cc3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride?
The InChIKey is AYYAROBKJJFZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S.C12H11N3O2.C10H12N2O5S.C10H14N2O3S.C6H4ClNO4S.C4H9NO/c1-15-3-7-17(8-4-15)19-12-25-22(24)21(26-19)20(28)11-16-5-9-18(10-6-16)32(29,30)27-23(2)13-31-14-23;1-7-2-4-8(5-3-7)9-6-14-11(13)10(15-9)12(16)17;1-10(6-17-7-10)11-18(15,16)9-4-2-8(3-5-9)12(13)14;1-10(6-15-7-10)12-16(13,14)9-4-2-8(11)3-5-9;7-13(11,12)6-3-1-5(2-4-6)8(9)10;1-4(5)2-6-3-4/h3-10,12,27H,11,13-14H2,1-2H3,(H2,24,25);2-6H,1H3,(H2,13,14)(H,16,17);2-5,11H,6-7H2,1H3;2-5,12H,6-7,11H2,1H3;1-4H;2-3,5H2,1H3.
What are the key properties of 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride?
4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride has a molecular weight of 1505.10 g/mol, XLogP of 6.51, 18 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide;3-methyloxetan-3-amine;N-(3-methyloxetan-3-yl)-4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 157274554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).