N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide

C25H25ClN2O3S — CID 28632123

IUPACN-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H25ClN2O3S/c26-24-18-21(27-32(30,31)22-9-5-2-6-10-22)11-12-23(24)25(29)28-15-13-20(14-16-28)17-19-7-3-1-4-8-19/h1-12,18,20,27H,13-17H2
InChIKeyLWIMWKMVXZFFGC-UHFFFAOYSA-N
MW469.01 g/mol
LogP5.24
Rot. Bonds6

About N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide

N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide (PubChem CID 28632123) has the molecular formula C25H25ClN2O3S and a molecular weight of 469.01 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
PubChem CID28632123
Molecular FormulaC25H25ClN2O3S
Molecular Weight469.01 g/mol
Exact Mass468.13
IUPAC NameN-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H25ClN2O3S/c26-24-18-21(27-32(30,31)22-9-5-2-6-10-22)11-12-23(24)25(29)28-15-13-20(14-16-28)17-19-7-3-1-4-8-19/h1-12,18,20,27H,13-17H2
InChIKeyLWIMWKMVXZFFGC-UHFFFAOYSA-N
XLogP5.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 46772956
1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
CID 99952888
N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984649
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
CID 99972488
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 45375503
5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide
CID 9414275
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 16944348
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 3940989
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2,4-dichlorobenzamide
CID 3993970

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide?
The IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide (CID 28632123) is N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide?
The InChIKey is LWIMWKMVXZFFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3S/c26-24-18-21(27-32(30,31)22-9-5-2-6-10-22)11-12-23(24)25(29)28-15-13-20(14-16-28)17-19-7-3-1-4-8-19/h1-12,18,20,27H,13-17H2.
What are the key properties of N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide?
N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide has a molecular weight of 469.01 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide is sourced from PubChem (CID 28632123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).