3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide

C15H20N4O4S2 — CID 139292939

IUPAC3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCc1c(N)c(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1N
InChIInChI=1S/C15H20N4O4S2/c1-8-13(16)9(2)15(10(3)14(8)17)25(22,23)19-11-4-6-12(7-5-11)24(18,20)21/h4-7,19H,16-17H2,1-3H3,(H2,18,20,21)
InChIKeyLBVCKGJZOWZSQW-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.22
Rot. Bonds4

About 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide

3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 139292939) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID139292939
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCc1c(N)c(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1N
InChIInChI=1S/C15H20N4O4S2/c1-8-13(16)9(2)15(10(3)14(8)17)25(22,23)19-11-4-6-12(7-5-11)24(18,20)21/h4-7,19H,16-17H2,1-3H3,(H2,18,20,21)
InChIKeyLBVCKGJZOWZSQW-UHFFFAOYSA-N
XLogP1.22
TPSA158.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-[4-(dimethylamino)phenyl]-2,4,6-trimethylbenzenesulfonamide;3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 159346284
4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951380
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288
2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 5089316
3,4-dimethyl-5-[(4-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 7516340
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 22774819
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
4-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzene-1,4-disulfonamide
CID 18286970
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370
4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 18758681

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 139292939) is 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide is Cc1c(N)c(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1N.
What is the InChIKey of 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is LBVCKGJZOWZSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-8-13(16)9(2)15(10(3)14(8)17)25(22,23)19-11-4-6-12(7-5-11)24(18,20)21/h4-7,19H,16-17H2,1-3H3,(H2,18,20,21).
What are the key properties of 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 1.22, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 139292939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).