N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide

C19H23N3O3S — CID 50875377

IUPACN-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O3S/c1-20-11-13-22(14-12-20)26(24,25)18-10-6-7-16(15-18)19(23)21(2)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3
InChIKeyJBNFFSZUNJCYFO-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide

N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide (PubChem CID 50875377) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
PubChem CID50875377
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O3S/c1-20-11-13-22(14-12-20)26(24,25)18-10-6-7-16(15-18)19(23)21(2)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3
InChIKeyJBNFFSZUNJCYFO-UHFFFAOYSA-N
XLogP1.90
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55549426
N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55362996
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24981969
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
N-(1,3-benzoxazol-2-yl)-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 22109026
4-[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 110408530
2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119346189
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide
CID 55461868
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545071

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
The IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide (CID 50875377) is N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide is CN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1.
What is the InChIKey of N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
The InChIKey is JBNFFSZUNJCYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-20-11-13-22(14-12-20)26(24,25)18-10-6-7-16(15-18)19(23)21(2)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide is sourced from PubChem (CID 50875377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).