N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide

C26H21N5O3S — CID 70789530

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C26H21N5O3S/c1-17-6-12-20(13-7-17)35(33,34)31-24-16-27-15-14-21(24)26(32)28-19-10-8-18(9-11-19)25-29-22-4-2-3-5-23(22)30-25/h2-16,31H,1H3,(H,28,32)(H,29,30)
InChIKeyRWUOBGBNQFZGCA-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.99
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide (PubChem CID 70789530) has the molecular formula C26H21N5O3S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
PubChem CID70789530
Molecular FormulaC26H21N5O3S
Molecular Weight483.55 g/mol
Exact Mass483.14
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C26H21N5O3S/c1-17-6-12-20(13-7-17)35(33,34)31-24-16-27-15-14-21(24)26(32)28-19-10-8-18(9-11-19)25-29-22-4-2-3-5-23(22)30-25/h2-16,31H,1H3,(H,28,32)(H,29,30)
InChIKeyRWUOBGBNQFZGCA-UHFFFAOYSA-N
XLogP4.99
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide 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-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789421
2-(benzenesulfonamido)-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
CID 121040702
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24659572
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39088716
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
CID 166200173
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide
CID 166201051
3-[(4-methylphenyl)sulfonylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 70789554
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25040510
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide (CID 70789530) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
The InChIKey is RWUOBGBNQFZGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S/c1-17-6-12-20(13-7-17)35(33,34)31-24-16-27-15-14-21(24)26(32)28-19-10-8-18(9-11-19)25-29-22-4-2-3-5-23(22)30-25/h2-16,31H,1H3,(H,28,32)(H,29,30).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide is sourced from PubChem (CID 70789530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).