4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide

C19H23N3O4S — CID 119374457

IUPAC4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(N)CC3)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-17-6-4-16(5-7-17)21-27(24,25)18-8-2-14(3-9-18)19(23)22-12-10-15(20)11-13-22/h2-9,15,21H,10-13,20H2,1H3
InChIKeyZKWNXZKXCWPOLR-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.06
Rot. Bonds5

About 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide

4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 119374457) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID119374457
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(N)CC3)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-17-6-4-16(5-7-17)21-27(24,25)18-8-2-14(3-9-18)19(23)22-12-10-15(20)11-13-22/h2-9,15,21H,10-13,20H2,1H3
InChIKeyZKWNXZKXCWPOLR-UHFFFAOYSA-N
XLogP2.06
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 119374441
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
N-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956951
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855543
(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729225
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50826971
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78802442
3,4-difluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 3000004

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide (CID 119374457) is 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(N)CC3)cc2)cc1.
What is the InChIKey of 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is ZKWNXZKXCWPOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-17-6-4-16(5-7-17)21-27(24,25)18-8-2-14(3-9-18)19(23)22-12-10-15(20)11-13-22/h2-9,15,21H,10-13,20H2,1H3.
What are the key properties of 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 119374457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).