2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide

C12H15ClN2O3S — CID 81202470

IUPAC2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)(=O)c1ccc(N)c(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClN2O3S/c1-15(8-2-3-8)12(16)7-19(17,18)9-4-5-11(14)10(13)6-9/h4-6,8H,2-3,7,14H2,1H3
InChIKeyYSWBHZJVLOPUQL-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.32
Rot. Bonds4

About 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide

2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide (PubChem CID 81202470) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide
PubChem CID81202470
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)(=O)c1ccc(N)c(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClN2O3S/c1-15(8-2-3-8)12(16)7-19(17,18)9-4-5-11(14)10(13)6-9/h4-6,8H,2-3,7,14H2,1H3
InChIKeyYSWBHZJVLOPUQL-UHFFFAOYSA-N
XLogP1.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide
CID 81202146
5-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfonyl-2-fluorobenzoic acid
CID 61489074
N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide
CID 4531956
2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide
CID 81182333
2-chloro-4-[3-(dimethylamino)propylsulfonyl]aniline
CID 114526935
2-chloro-4-(2-methylsulfonylethylsulfonyl)aniline
CID 81202138
2-chloro-4-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 107090472
2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
CID 81179982
2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81202581
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 115330222
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide
CID 61489004

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide (CID 81202470) is 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide is CN(C(=O)CS(=O)(=O)c1ccc(N)c(Cl)c1)C1CC1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide?
The InChIKey is YSWBHZJVLOPUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-15(8-2-3-8)12(16)7-19(17,18)9-4-5-11(14)10(13)6-9/h4-6,8H,2-3,7,14H2,1H3.
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide?
2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide has a molecular weight of 302.78 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 81202470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).