N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide

C15H22N2O3S — CID 78788592

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C2CCCCC2)ccc1C
InChIInChI=1S/C15H22N2O3S/c1-11-8-9-13(10-14(11)21(19,20)16-2)17-15(18)12-6-4-3-5-7-12/h8-10,12,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyZRJMFCPXFPKFLB-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.42
Rot. Bonds4

About N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide (PubChem CID 78788592) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
PubChem CID78788592
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C2CCCCC2)ccc1C
InChIInChI=1S/C15H22N2O3S/c1-11-8-9-13(10-14(11)21(19,20)16-2)17-15(18)12-6-4-3-5-7-12/h8-10,12,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyZRJMFCPXFPKFLB-UHFFFAOYSA-N
XLogP2.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119270691
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120618117
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
CID 43717499
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270677
5-(cyclopentylamino)-N,2-dimethylbenzenesulfonamide
CID 43717500
1-(4-cyanophenyl)sulfonyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 24503873
2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
CID 87035057
N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
CID 3667035
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide
CID 119797379

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide (CID 78788592) is N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide is CNS(=O)(=O)c1cc(NC(=O)C2CCCCC2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide?
The InChIKey is ZRJMFCPXFPKFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-8-9-13(10-14(11)21(19,20)16-2)17-15(18)12-6-4-3-5-7-12/h8-10,12,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 78788592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).