N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride

C18H21Cl2N3O3S — CID 119378826

IUPACN-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H20ClN3O3S.ClH/c19-13-8-9-17(21-26(24,25)15-6-2-1-3-7-15)16(11-13)18(23)22-10-4-5-14(20)12-22;/h1-3,6-9,11,14,21H,4-5,10,12,20H2;1H
InChIKeyXOSGRLHVCZNIGL-UHFFFAOYSA-N
MW430.36 g/mol
LogP3.13
Rot. Bonds4

About N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride

N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride (PubChem CID 119378826) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride
PubChem CID119378826
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC NameN-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H20ClN3O3S.ClH/c19-13-8-9-17(21-26(24,25)15-6-2-1-3-7-15)16(11-13)18(23)22-10-4-5-14(20)12-22;/h1-3,6-9,11,14,21H,4-5,10,12,20H2;1H
InChIKeyXOSGRLHVCZNIGL-UHFFFAOYSA-N
XLogP3.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide
CID 119378827
N-[2-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide
CID 119374273
N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119379589
4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
CID 119378363
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
CID 119381064
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfonylbenzenesulfonamide
CID 55896274
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
[(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone
CID 124593236
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride (CID 119378826) is N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride is Cl.NC1CCCN(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride?
The InChIKey is XOSGRLHVCZNIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S.ClH/c19-13-8-9-17(21-26(24,25)15-6-2-1-3-7-15)16(11-13)18(23)22-10-4-5-14(20)12-22;/h1-3,6-9,11,14,21H,4-5,10,12,20H2;1H.
What are the key properties of N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride?
N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride has a molecular weight of 430.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119378826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).