4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide

C21H25ClN4O2S — CID 667327

IUPAC4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H25ClN4O2S/c1-25-20-10-7-17(24-29(27,28)18-8-5-16(22)6-9-18)15-19(20)23-21(25)11-14-26-12-3-2-4-13-26/h5-10,15,24H,2-4,11-14H2,1H3
InChIKeySDBWRVJCURSACG-UHFFFAOYSA-N
MW432.98 g/mol
LogP4.06
Rot. Bonds6

About 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide

4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 667327) has the molecular formula C21H25ClN4O2S and a molecular weight of 432.98 g/mol. Its IUPAC name is 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID667327
Molecular FormulaC21H25ClN4O2S
Molecular Weight432.98 g/mol
Exact Mass432.14
IUPAC Name4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H25ClN4O2S/c1-25-20-10-7-17(24-29(27,28)18-8-5-16(22)6-9-18)15-19(20)23-21(25)11-14-26-12-3-2-4-13-26/h5-10,15,24H,2-4,11-14H2,1H3
InChIKeySDBWRVJCURSACG-UHFFFAOYSA-N
XLogP4.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.98
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pf-05212377
CID 46203710
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
4-Chloro-N-[(1r)-1-[1-Ethyl-6-(Trifluoromethyl)benzimidazol-2-Yl]ethyl]benzenesulfonamide
CID 59177179
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805
4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177011
1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
CID 746713
Oryzalin metabolite OR-14
CID 101913340
5-HT6R antagonist CPPQ
CID 162656068
1-[(4-chlorophenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 976018
Cambridge id 6957993
CID 1326313
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide
CID 2039682

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide (CID 667327) is 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide is Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is SDBWRVJCURSACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2S/c1-25-20-10-7-17(24-29(27,28)18-8-5-16(22)6-9-18)15-19(20)23-21(25)11-14-26-12-3-2-4-13-26/h5-10,15,24H,2-4,11-14H2,1H3.
What are the key properties of 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 432.98 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 667327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).