1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide

C17H20N2O4S2 — CID 35506541

IUPAC1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C17H20N2O4S2/c1-12-3-4-15(11-13(12)2)19-25(22,23)17-9-7-16(8-10-17)24(20,21)18-14-5-6-14/h3-4,7-11,14,18-19H,5-6H2,1-2H3
InChIKeyLHRZBQWJXIQBNV-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.54
Rot. Bonds6

About 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide

1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide (PubChem CID 35506541) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
PubChem CID35506541
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C17H20N2O4S2/c1-12-3-4-15(11-13(12)2)19-25(22,23)17-9-7-16(8-10-17)24(20,21)18-14-5-6-14/h3-4,7-11,14,18-19H,5-6H2,1-2H3
InChIKeyLHRZBQWJXIQBNV-UHFFFAOYSA-N
XLogP2.54
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide 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

4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
1-N-(3-chloro-4-methylphenyl)-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 33394628
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
4-(1-aminoethyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43111564
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
5-(cyclopentylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 4643786
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide
CID 1015506
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17498159
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide?
The IUPAC name of 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide (CID 35506541) is 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C.
What is the InChIKey of 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide?
The InChIKey is LHRZBQWJXIQBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-12-3-4-15(11-13(12)2)19-25(22,23)17-9-7-16(8-10-17)24(20,21)18-14-5-6-14/h3-4,7-11,14,18-19H,5-6H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide?
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 35506541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).