4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide

C18H20ClN3O3S — CID 119378363

IUPAC4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
SMILESNC1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O3S/c19-16-5-1-2-6-17(16)21-26(24,25)15-9-7-13(8-10-15)18(23)22-11-3-4-14(20)12-22/h1-2,5-10,14,21H,3-4,11-12,20H2
InChIKeyKRBJGDJWQWSMKK-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.70
Rot. Bonds4

About 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide

4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide (PubChem CID 119378363) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
PubChem CID119378363
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
SMILESNC1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O3S/c19-16-5-1-2-6-17(16)21-26(24,25)15-9-7-13(8-10-15)18(23)22-11-3-4-14(20)12-22/h1-2,5-10,14,21H,3-4,11-12,20H2
InChIKeyKRBJGDJWQWSMKK-UHFFFAOYSA-N
XLogP2.70
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
CID 119381064
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159138
N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide
CID 119378827
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026
N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride
CID 119378826
4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide;hydrochloride
CID 119486880
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide (CID 119378363) is 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide is NC1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1.
What is the InChIKey of 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide?
The InChIKey is KRBJGDJWQWSMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-16-5-1-2-6-17(16)21-26(24,25)15-9-7-13(8-10-15)18(23)22-11-3-4-14(20)12-22/h1-2,5-10,14,21H,3-4,11-12,20H2.
What are the key properties of 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide?
4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 119378363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).