N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C23H19ClN4O3S — CID 110162723

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)ccc21
InChIInChI=1S/C23H19ClN4O3S/c1-32(30,31)28-11-10-14-12-15(6-9-21(14)28)23(29)25-16-7-8-18(24)17(13-16)22-26-19-4-2-3-5-20(19)27-22/h2-9,12-13H,10-11H2,1H3,(H,25,29)(H,26,27)
InChIKeyREDNHKYCASADTL-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.46
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 110162723) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID110162723
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)ccc21
InChIInChI=1S/C23H19ClN4O3S/c1-32(30,31)28-11-10-14-12-15(6-9-21(14)28)23(29)25-16-7-8-18(24)17(13-16)22-26-19-4-2-3-5-20(19)27-22/h2-9,12-13H,10-11H2,1H3,(H,25,29)(H,26,27)
InChIKeyREDNHKYCASADTL-UHFFFAOYSA-N
XLogP4.46
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-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-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 110162739
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 110162725
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 110162723) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)ccc21.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is REDNHKYCASADTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c1-32(30,31)28-11-10-14-12-15(6-9-21(14)28)23(29)25-16-7-8-18(24)17(13-16)22-26-19-4-2-3-5-20(19)27-22/h2-9,12-13H,10-11H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 110162723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).