N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide

C19H23N3O3S — CID 119470409

IUPACN-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCNCC3C)c2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-5-3-7-17(11-14)21-26(24,25)18-8-4-6-16(12-18)19(23)22-10-9-20-13-15(22)2/h3-8,11-12,15,20-21H,9-10,13H2,1-2H3
InChIKeyWNXTVHHRUSOKBU-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.23
Rot. Bonds4

About N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide

N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 119470409) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID119470409
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCNCC3C)c2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-5-3-7-17(11-14)21-26(24,25)18-8-4-6-16(12-18)19(23)22-10-9-20-13-15(22)2/h3-8,11-12,15,20-21H,9-10,13H2,1-2H3
InChIKeyWNXTVHHRUSOKBU-UHFFFAOYSA-N
XLogP2.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119470172
N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119472953
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576776
3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 119649020
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 119472047
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 119470409) is N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCNCC3C)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is WNXTVHHRUSOKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-5-3-7-17(11-14)21-26(24,25)18-8-4-6-16(12-18)19(23)22-10-9-20-13-15(22)2/h3-8,11-12,15,20-21H,9-10,13H2,1-2H3.
What are the key properties of N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.23, 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-(2-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119470409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).