N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C24H17ClN4O3S2 — CID 110162739

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C24H17ClN4O3S2/c25-19-12-11-17(14-18(19)23-27-20-4-1-2-5-21(20)28-23)26-24(30)15-7-9-16(10-8-15)29-34(31,32)22-6-3-13-33-22/h1-14,29H,(H,26,30)(H,27,28)
InChIKeyNGPRLMGEMUQWMH-UHFFFAOYSA-N
MW509.01 g/mol
LogP6.00
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 110162739) has the molecular formula C24H17ClN4O3S2 and a molecular weight of 509.01 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID110162739
Molecular FormulaC24H17ClN4O3S2
Molecular Weight509.01 g/mol
Exact Mass508.04
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C24H17ClN4O3S2/c25-19-12-11-17(14-18(19)23-27-20-4-1-2-5-21(20)28-23)26-24(30)15-7-9-16(10-8-15)29-34(31,32)22-6-3-13-33-22/h1-14,29H,(H,26,30)(H,27,28)
InChIKeyNGPRLMGEMUQWMH-UHFFFAOYSA-N
XLogP6.00
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.01
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide
CID 71229061
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 90032214
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide
CID 1361388
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 110162723
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide
CID 168521087
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4-diethoxy-5-methylbenzamide
CID 59242140

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 110162739) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is NGPRLMGEMUQWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O3S2/c25-19-12-11-17(14-18(19)23-27-20-4-1-2-5-21(20)28-23)26-24(30)15-7-9-16(10-8-15)29-34(31,32)22-6-3-13-33-22/h1-14,29H,(H,26,30)(H,27,28).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 509.01 g/mol, XLogP of 6.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 110162739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).