N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide

C23H19ClN4O3S — CID 100775711

IUPACN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)ccc21
InChIInChI=1S/C23H19ClN4O3S/c1-27-14-25-20-12-16(3-9-21(20)27)23(29)26-18-6-2-15-10-11-28(22(15)13-18)32(30,31)19-7-4-17(24)5-8-19/h2-9,12-14H,10-11H2,1H3,(H,26,29)
InChIKeyGGOJUGBOOKRRIP-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.23
Rot. Bonds4

About N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 100775711) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide
PubChem CID100775711
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC NameN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)ccc21
InChIInChI=1S/C23H19ClN4O3S/c1-27-14-25-20-12-16(3-9-21(20)27)23(29)26-18-6-2-15-10-11-28(22(15)13-18)32(30,31)19-7-4-17(24)5-8-19/h2-9,12-14H,10-11H2,1H3,(H,26,29)
InChIKeyGGOJUGBOOKRRIP-UHFFFAOYSA-N
XLogP4.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]pyridine-4-carboxamide
CID 90088378
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 100799321
1-(4-chlorophenyl)sulfonyl-N-[4-(cyanomethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801370
1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
CID 110692640
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790258
(2S)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 100769761
1-(3-chloro-4-methylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-6-yl]urea
CID 46386031
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 18565156

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide (CID 100775711) is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)ccc21.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is GGOJUGBOOKRRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c1-27-14-25-20-12-16(3-9-21(20)27)23(29)26-18-6-2-15-10-11-28(22(15)13-18)32(30,31)19-7-4-17(24)5-8-19/h2-9,12-14H,10-11H2,1H3,(H,26,29).
What are the key properties of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide?
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 100775711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).