1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide

C15H22N2O3S — CID 76904451

IUPAC1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
SMILESCC(=NO)c1ccc(NS(=O)(=O)CC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12(16-18)14-7-9-15(10-8-14)17-21(19,20)11-13-5-3-2-4-6-13/h7-10,13,17-18H,2-6,11H2,1H3
InChIKeyIUPBQBGLSFFKGS-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.21
Rot. Bonds5

About 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide

1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide (PubChem CID 76904451) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
PubChem CID76904451
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
SMILESCC(=NO)c1ccc(NS(=O)(=O)CC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12(16-18)14-7-9-15(10-8-14)17-21(19,20)11-13-5-3-2-4-6-13/h7-10,13,17-18H,2-6,11H2,1H3
InChIKeyIUPBQBGLSFFKGS-UHFFFAOYSA-N
XLogP3.21
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 6612326
1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 77046918
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide
CID 43104761
2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 103163862
5-(cyclohexylmethylsulfonylamino)-2-methylbenzoic acid
CID 63653860
4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide
CID 64989100
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 61453827
N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 65431066
N-[4-(bromomethyl)phenyl]-1-cyclopropylmethanesulfonamide
CID 114296744
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
N-[4-(cycloheptylamino)phenyl]ethanesulfonamide
CID 60932393

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide (CID 76904451) is 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide is CC(=NO)c1ccc(NS(=O)(=O)CC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide?
The InChIKey is IUPBQBGLSFFKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(16-18)14-7-9-15(10-8-14)17-21(19,20)11-13-5-3-2-4-6-13/h7-10,13,17-18H,2-6,11H2,1H3.
What are the key properties of 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide?
1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 76904451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).