N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

C19H24ClN3O3S — CID 119576776

IUPACN-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCNC(C)C3)c2)c1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-14-5-3-7-17(11-14)21-26(24,25)18-8-4-6-16(12-18)19(23)22-10-9-20-15(2)13-22;/h3-8,11-12,15,20-21H,9-10,13H2,1-2H3;1H
InChIKeyYIDLZTLTCHHBON-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.65
Rot. Bonds4

About N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 119576776) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID119576776
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCNC(C)C3)c2)c1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-14-5-3-7-17(11-14)21-26(24,25)18-8-4-6-16(12-18)19(23)22-10-9-20-15(2)13-22;/h3-8,11-12,15,20-21H,9-10,13H2,1-2H3;1H
InChIKeyYIDLZTLTCHHBON-UHFFFAOYSA-N
XLogP2.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119580020
2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119578072
3,4-difluoro-N-[3-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
CID 119579238
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470409
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 55348385
(3-methylpiperazin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119579874
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 119576776) is N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCNC(C)C3)c2)c1.Cl.
What is the InChIKey of N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is YIDLZTLTCHHBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c1-14-5-3-7-17(11-14)21-26(24,25)18-8-4-6-16(12-18)19(23)22-10-9-20-15(2)13-22;/h3-8,11-12,15,20-21H,9-10,13H2,1-2H3;1H.
What are the key properties of N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119576776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).