N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide

C30H31ClN4O3S — CID 121038084

IUPACN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C30H31ClN4O3S/c31-23-9-7-22(8-10-23)30(17-3-4-18-30)29(36)32-24-11-13-25(14-12-24)39(37,38)35-19-15-21(16-20-35)28-33-26-5-1-2-6-27(26)34-28/h1-2,5-14,21H,3-4,15-20H2,(H,32,36)(H,33,34)
InChIKeyDOKRKJWNZXKYRM-UHFFFAOYSA-N
MW563.12 g/mol
LogP6.24
Rot. Bonds6

About N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide (PubChem CID 121038084) has the molecular formula C30H31ClN4O3S and a molecular weight of 563.12 g/mol. Its IUPAC name is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
PubChem CID121038084
Molecular FormulaC30H31ClN4O3S
Molecular Weight563.12 g/mol
Exact Mass562.18
IUPAC NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C30H31ClN4O3S/c31-23-9-7-22(8-10-23)30(17-3-4-18-30)29(36)32-24-11-13-25(14-12-24)39(37,38)35-19-15-21(16-20-35)28-33-26-5-1-2-6-27(26)34-28/h1-2,5-14,21H,3-4,15-20H2,(H,32,36)(H,33,34)
InChIKeyDOKRKJWNZXKYRM-UHFFFAOYSA-N
XLogP6.24
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.12
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-fluorobenzamide
CID 16802929
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-chloro-5-nitrobenzamide
CID 121038062
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide
CID 18575340
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-(2-methylphenoxy)acetamide
CID 29043701
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
2-[[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylanilino]methylidene]propanedinitrile
CID 168543700
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 29043662
[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 3223538
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 3689763
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide (CID 121038084) is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is DOKRKJWNZXKYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O3S/c31-23-9-7-22(8-10-23)30(17-3-4-18-30)29(36)32-24-11-13-25(14-12-24)39(37,38)35-19-15-21(16-20-35)28-33-26-5-1-2-6-27(26)34-28/h1-2,5-14,21H,3-4,15-20H2,(H,32,36)(H,33,34).
What are the key properties of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide?
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 563.12 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 121038084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).