N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

C19H29N3O3S — CID 2985771

IUPACN-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H29N3O3S/c1-15-8-9-17(26(24,25)22-12-10-21(2)11-13-22)14-18(15)19(23)20-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,20,23)
InChIKeyIHRRYJGZUDEXAX-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.99
Rot. Bonds4

About N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 2985771) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID2985771
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H29N3O3S/c1-15-8-9-17(26(24,25)22-12-10-21(2)11-13-22)14-18(15)19(23)20-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,20,23)
InChIKeyIHRRYJGZUDEXAX-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 2985771) is N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is IHRRYJGZUDEXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-8-9-17(26(24,25)22-12-10-21(2)11-13-22)14-18(15)19(23)20-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 379.53 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 2985771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).