N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide

C19H21ClN2O3S — CID 169371025

IUPACN-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-5-8-16(9-6-14)26(24,25)21-18-10-7-15(20)13-17(18)19(23)22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12H2,1H3
InChIKeyRQHBPXSXMFHYSA-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.08
Rot. Bonds4

About N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide

N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169371025) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169371025
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-5-8-16(9-6-14)26(24,25)21-18-10-7-15(20)13-17(18)19(23)22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12H2,1H3
InChIKeyRQHBPXSXMFHYSA-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide 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-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 60534962
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
CID 49191872
3-chloro-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-methoxybenzenesulfonamide
CID 60534932
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfonylbenzenesulfonamide
CID 55896274
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
N-[2-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide
CID 119374273
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063323

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide (CID 169371025) is N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is RQHBPXSXMFHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-5-8-16(9-6-14)26(24,25)21-18-10-7-15(20)13-17(18)19(23)22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12H2,1H3.
What are the key properties of N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).