4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide

C15H22N2O3S — CID 123780461

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(C(N)=O)CC2)cc1C
InChIInChI=1S/C15H22N2O3S/c1-10-3-8-14(9-11(10)2)21(19,20)17-13-6-4-12(5-7-13)15(16)18/h3,8-9,12-13,17H,4-7H2,1-2H3,(H2,16,18)
InChIKeyMOJUJYDYOZYYGB-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.63
Rot. Bonds4

About 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide

4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 123780461) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
PubChem CID123780461
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(C(N)=O)CC2)cc1C
InChIInChI=1S/C15H22N2O3S/c1-10-3-8-14(9-11(10)2)21(19,20)17-13-6-4-12(5-7-13)15(16)18/h3,8-9,12-13,17H,4-7H2,1-2H3,(H2,16,18)
InChIKeyMOJUJYDYOZYYGB-UHFFFAOYSA-N
XLogP1.63
TPSA89.26 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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide
CID 61051961
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-(1-aminoethylideneamino)-N-[5-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide
CID 138723570
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684
4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 61125880
5-(azetidin-3-ylsulfamoyl)-2-methylbenzamide
CID 66186326

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide (CID 123780461) is 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide is Cc1ccc(S(=O)(=O)NC2CCC(C(N)=O)CC2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is MOJUJYDYOZYYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-3-8-14(9-11(10)2)21(19,20)17-13-6-4-12(5-7-13)15(16)18/h3,8-9,12-13,17H,4-7H2,1-2H3,(H2,16,18).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 123780461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).