2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide

C24H26ClN3O5S2 — CID 177311382

IUPAC2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H26ClN3O5S2/c1-24(2,3)16-5-10-20(11-6-16)35(32,33)28-22-14-7-17(25)15-21(22)23(29)27-18-8-12-19(13-9-18)34(30,31)26-4/h5-15,26,28H,1-4H3,(H,27,29)
InChIKeyMYSJIGNGBWGGQC-UHFFFAOYSA-N
MW536.08 g/mol
LogP4.60
Rot. Bonds7

About 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide

2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide (PubChem CID 177311382) has the molecular formula C24H26ClN3O5S2 and a molecular weight of 536.08 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
PubChem CID177311382
Molecular FormulaC24H26ClN3O5S2
Molecular Weight536.08 g/mol
Exact Mass535.10
IUPAC Name2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H26ClN3O5S2/c1-24(2,3)16-5-10-20(11-6-16)35(32,33)28-22-14-7-17(25)15-21(22)23(29)27-18-8-12-19(13-9-18)34(30,31)26-4/h5-15,26,28H,1-4H3,(H,27,29)
InChIKeyMYSJIGNGBWGGQC-UHFFFAOYSA-N
XLogP4.60
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.08
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide 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

2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorobenzoyl chloride
CID 86618346
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
4-tert-butyl-N-[4-chloro-2-(2-chloro-1-oxidopyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide
CID 20827693
4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide
CID 22646312
4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
CID 2730339
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219705
4-tert-butyl-N-[4-chloro-2-(3-methylpyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10094915
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 139818443

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide (CID 177311382) is 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide is CNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is MYSJIGNGBWGGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O5S2/c1-24(2,3)16-5-10-20(11-6-16)35(32,33)28-22-14-7-17(25)15-21(22)23(29)27-18-8-12-19(13-9-18)34(30,31)26-4/h5-15,26,28H,1-4H3,(H,27,29).
What are the key properties of 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide?
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 536.08 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 177311382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).