N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C19H29N3O3S — CID 24983123

IUPACN-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15-6-8-17(9-7-15)20-19(23)16-4-3-5-18(14-16)26(24,25)22-12-10-21(2)11-13-22/h3-5,14-15,17H,6-13H2,1-2H3,(H,20,23)
InChIKeyTYRMMZAVHFLIQF-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.93
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 24983123) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID24983123
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15-6-8-17(9-7-15)20-19(23)16-4-3-5-18(14-16)26(24,25)22-12-10-21(2)11-13-22/h3-5,14-15,17H,6-13H2,1-2H3,(H,20,23)
InChIKeyTYRMMZAVHFLIQF-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 24983123) is N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is CC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is TYRMMZAVHFLIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-6-8-17(9-7-15)20-19(23)16-4-3-5-18(14-16)26(24,25)22-12-10-21(2)11-13-22/h3-5,14-15,17H,6-13H2,1-2H3,(H,20,23).
What are the key properties of N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 379.53 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 24983123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).