2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide

C20H25N3O3S — CID 119578072

IUPAC2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCNC(C)C3)ccc2C)c1
InChIInChI=1S/C20H25N3O3S/c1-14-5-4-6-18(11-14)22-27(25,26)19-12-17(8-7-15(19)2)20(24)23-10-9-21-16(3)13-23/h4-8,11-12,16,21-22H,9-10,13H2,1-3H3
InChIKeyOJTKJLGLRRDEND-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.54
Rot. Bonds4

About 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide

2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 119578072) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID119578072
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCNC(C)C3)ccc2C)c1
InChIInChI=1S/C20H25N3O3S/c1-14-5-4-6-18(11-14)22-27(25,26)19-12-17(8-7-15(19)2)20(24)23-10-9-21-16(3)13-23/h4-8,11-12,16,21-22H,9-10,13H2,1-3H3
InChIKeyOJTKJLGLRRDEND-UHFFFAOYSA-N
XLogP2.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576776
2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
ethyl 4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 35743469
5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 112803139
N-(3-chlorophenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119580020
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 2982299
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
3,4-difluoro-N-[3-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
CID 119579238
2-chloro-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2986770
2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 30684576
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 119578072) is 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCNC(C)C3)ccc2C)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is OJTKJLGLRRDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-5-4-6-18(11-14)22-27(25,26)19-12-17(8-7-15(19)2)20(24)23-10-9-21-16(3)13-23/h4-8,11-12,16,21-22H,9-10,13H2,1-3H3.
What are the key properties of 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide?
2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119578072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).