N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride

C18H22ClN3O3S — CID 119400127

IUPACN-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C18H21N3O3S.ClH/c1-20(15-7-3-2-4-8-15)25(23,24)17-10-6-5-9-16(17)18(22)21-13-11-19-12-14-21;/h2-10,19H,11-14H2,1H3;1H
InChIKeyKJHJOVWZNWOHSH-UHFFFAOYSA-N
MW395.91 g/mol
LogP1.98
Rot. Bonds4

About N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride

N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 119400127) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID119400127
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C18H21N3O3S.ClH/c1-20(15-7-3-2-4-8-15)25(23,24)17-10-6-5-9-16(17)18(22)21-13-11-19-12-14-21;/h2-10,19H,11-14H2,1H3;1H
InChIKeyKJHJOVWZNWOHSH-UHFFFAOYSA-N
XLogP1.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78857211
N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 112765512
piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 119403179
2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 119483296
(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402696
1,4-diazepan-1-yl-(2-morpholin-4-ylsulfonylphenyl)methanone
CID 119417300
(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514848
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid
CID 13394534
2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 119400127) is N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride is CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is KJHJOVWZNWOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S.ClH/c1-20(15-7-3-2-4-8-15)25(23,24)17-10-6-5-9-16(17)18(22)21-13-11-19-12-14-21;/h2-10,19H,11-14H2,1H3;1H.
What are the key properties of N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 395.91 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119400127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).