N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride

C18H22Cl2N2O2S — CID 18197766

IUPACN-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2S.ClH/c19-16-7-4-8-18(13-16)24(22,23)20-17-9-11-21(12-10-17)14-15-5-2-1-3-6-15;/h1-8,13,17,20H,9-12,14H2;1H
InChIKeySVRJNAWSBOTILB-UHFFFAOYSA-N
MW401.36 g/mol
LogP3.70
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride

N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride (PubChem CID 18197766) has the molecular formula C18H22Cl2N2O2S and a molecular weight of 401.36 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
PubChem CID18197766
Molecular FormulaC18H22Cl2N2O2S
Molecular Weight401.36 g/mol
Exact Mass400.08
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2S.ClH/c19-16-7-4-8-18(13-16)24(22,23)20-17-9-11-21(12-10-17)14-15-5-2-1-3-6-15;/h1-8,13,17,20H,9-12,14H2;1H
InChIKeySVRJNAWSBOTILB-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-(1-benzylpiperidin-4-yl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 46823312
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
5-[3-[(3-chlorophenyl)sulfonylamino]pyrrolidin-1-yl]pentanoic acid
CID 139613509
3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide
CID 142738850
N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide
CID 114269373
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride (CID 18197766) is N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride?
The InChIKey is SVRJNAWSBOTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S.ClH/c19-16-7-4-8-18(13-16)24(22,23)20-17-9-11-21(12-10-17)14-15-5-2-1-3-6-15;/h1-8,13,17,20H,9-12,14H2;1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride?
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride has a molecular weight of 401.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 18197766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).