N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide

C17H19N3O2S — CID 110724410

IUPACN-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O2S/c1-17(2,3)12-4-7-14(8-5-12)23(21,22)20-13-6-9-15-16(10-13)19-11-18-15/h4-11,20H,1-3H3,(H,18,19)
InChIKeyISDMHABCJHNXHG-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.66
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide

N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide (PubChem CID 110724410) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
PubChem CID110724410
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O2S/c1-17(2,3)12-4-7-14(8-5-12)23(21,22)20-13-6-9-15-16(10-13)19-11-18-15/h4-11,20H,1-3H3,(H,18,19)
InChIKeyISDMHABCJHNXHG-UHFFFAOYSA-N
XLogP3.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide 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

N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760043
N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110724383
N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 110760029
N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 110724381
N-(3H-benzimidazol-5-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110724406
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide
CID 110724387
2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride
CID 116866400
4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
5-[(4-tert-butylphenyl)sulfonylamino]-2-carboxyphenolate
CID 54725188
4-tert-butyl-N-(3-formylphenyl)benzenesulfonamide
CID 1249997

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide (CID 110724410) is N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide?
The InChIKey is ISDMHABCJHNXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-17(2,3)12-4-7-14(8-5-12)23(21,22)20-13-6-9-15-16(10-13)19-11-18-15/h4-11,20H,1-3H3,(H,18,19).
What are the key properties of N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide?
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 110724410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).