N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide

C15H22N2O3S — CID 43134141

IUPACN-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1NC(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-10-8-13(21(16,19)20)9-11(2)14(10)17-15(18)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyGPXRNZDUDFYBMK-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.47
Rot. Bonds3

About N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide

N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide (PubChem CID 43134141) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
PubChem CID43134141
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1NC(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-10-8-13(21(16,19)20)9-11(2)14(10)17-15(18)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyGPXRNZDUDFYBMK-UHFFFAOYSA-N
XLogP2.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
N-(2-ethyl-6-methyl-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43246565
N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
CID 61277687
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134132
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
3,5-dimethyl-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62907041
N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide
CID 100828283
N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 82747329
3,5-dimethyl-4-(oxane-3-carbonylamino)benzenesulfonyl chloride
CID 63011502
N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide
CID 155118620
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide (CID 43134141) is N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide is Cc1cc(S(N)(=O)=O)cc(C)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide?
The InChIKey is GPXRNZDUDFYBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-8-13(21(16,19)20)9-11(2)14(10)17-15(18)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide?
N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 43134141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).