N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

C18H21N3O3S — CID 119470172

IUPACN-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CNCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H21N3O3S/c1-14-13-19-10-11-21(14)18(22)15-6-5-7-16(12-15)20-25(23,24)17-8-3-2-4-9-17/h2-9,12,14,19-20H,10-11,13H2,1H3
InChIKeyMJJYHWPFJBLEDW-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.92
Rot. Bonds4

About N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 119470172) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID119470172
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CNCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H21N3O3S/c1-14-13-19-10-11-21(14)18(22)15-6-5-7-16(12-15)20-25(23,24)17-8-3-2-4-9-17/h2-9,12,14,19-20H,10-11,13H2,1H3
InChIKeyMJJYHWPFJBLEDW-UHFFFAOYSA-N
XLogP1.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470409
N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119472953
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 119472047
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 119472055
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (CID 119470172) is N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is CC1CNCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is MJJYHWPFJBLEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-13-19-10-11-21(14)18(22)15-6-5-7-16(12-15)20-25(23,24)17-8-3-2-4-9-17/h2-9,12,14,19-20H,10-11,13H2,1H3.
What are the key properties of N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 119470172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).