N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide

C18H27N3O3S — CID 1226670

IUPACN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O3S/c1-20-11-13-21(14-12-20)25(23,24)17-9-7-16(8-10-17)19-18(22)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyWSGHZQPMPOSBBZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.14
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide (PubChem CID 1226670) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide
PubChem CID1226670
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1
InChIInChI=1S/C18H27N3O3S/c1-20-11-13-21(14-12-20)25(23,24)17-9-7-16(8-10-17)19-18(22)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyWSGHZQPMPOSBBZ-UHFFFAOYSA-N
XLogP2.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide (CID 1226670) is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide?
The InChIKey is WSGHZQPMPOSBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-20-11-13-21(14-12-20)25(23,24)17-9-7-16(8-10-17)19-18(22)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide?
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 1226670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).