4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride

C19H24ClN3O4S — CID 119381064

IUPAC4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-26-18-7-3-2-6-17(18)21-27(24,25)16-10-8-14(9-11-16)19(23)22-12-4-5-15(20)13-22;/h2-3,6-11,15,21H,4-5,12-13,20H2,1H3;1H
InChIKeyRMCZELVACCEKST-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.48
Rot. Bonds5

About 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride

4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride (PubChem CID 119381064) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
PubChem CID119381064
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-26-18-7-3-2-6-17(18)21-27(24,25)16-10-8-14(9-11-16)19(23)22-12-4-5-15(20)13-22;/h2-3,6-11,15,21H,4-5,12-13,20H2,1H3;1H
InChIKeyRMCZELVACCEKST-UHFFFAOYSA-N
XLogP2.48
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
ethyl 1-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 25162125
4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
CID 119378363
N-(2-methoxyphenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55349253
N-(2-methoxyphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46687768
N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119580119
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55958812
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
ethyl 4-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 26680944
4-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55956476
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182
N-(2-methoxyphenyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 43050311

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride (CID 119381064) is 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride?
The InChIKey is RMCZELVACCEKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-26-18-7-3-2-6-17(18)21-27(24,25)16-10-8-14(9-11-16)19(23)22-12-4-5-15(20)13-22;/h2-3,6-11,15,21H,4-5,12-13,20H2,1H3;1H.
What are the key properties of 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride?
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119381064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).