[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide

C15H22ClNO3S — CID 65006703

IUPAC[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
SMILESCc1cc(Cl)ccc1OCC1(CS(N)(=O)=O)CCCCC1
InChIInChI=1S/C15H22ClNO3S/c1-12-9-13(16)5-6-14(12)20-10-15(11-21(17,18)19)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,17,18,19)
InChIKeyKVFRISMWZUHGAW-UHFFFAOYSA-N
MW331.86 g/mol
LogP3.27
Rot. Bonds5

About [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide

[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide (PubChem CID 65006703) has the molecular formula C15H22ClNO3S and a molecular weight of 331.86 g/mol. Its IUPAC name is [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
PubChem CID65006703
Molecular FormulaC15H22ClNO3S
Molecular Weight331.86 g/mol
Exact Mass331.10
IUPAC Name[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
SMILESCc1cc(Cl)ccc1OCC1(CS(N)(=O)=O)CCCCC1
InChIInChI=1S/C15H22ClNO3S/c1-12-9-13(16)5-6-14(12)20-10-15(11-21(17,18)19)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,17,18,19)
InChIKeyKVFRISMWZUHGAW-UHFFFAOYSA-N
XLogP3.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-5-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002656
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65006888
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
[1-[(2,3-dichlorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006606
[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003339
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006250
[1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 107286836
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65007281

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide?
The IUPAC name of [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide (CID 65006703) is [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide is Cc1cc(Cl)ccc1OCC1(CS(N)(=O)=O)CCCCC1.
What is the InChIKey of [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide?
The InChIKey is KVFRISMWZUHGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-12-9-13(16)5-6-14(12)20-10-15(11-21(17,18)19)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,17,18,19).
What are the key properties of [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide?
[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide has a molecular weight of 331.86 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 65006703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).