N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide

C14H20N2O3S — CID 1377910

IUPACN-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c15-20(18,19)13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17)(H2,15,18,19)
InChIKeyQGCIPXRLLODMTQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.53
Rot. Bonds4

About N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide

N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide (PubChem CID 1377910) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide
PubChem CID1377910
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c15-20(18,19)13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17)(H2,15,18,19)
InChIKeyQGCIPXRLLODMTQ-UHFFFAOYSA-N
XLogP1.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide (CID 1377910) is N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide?
The InChIKey is QGCIPXRLLODMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-20(18,19)13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide?
N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 1377910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).