1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide

C15H21F2NO3S — CID 110018928

IUPAC1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)Cc2ccc(F)cc2F)CCCCC1O
InChIInChI=1S/C15H21F2NO3S/c1-15(7-3-2-4-14(15)19)10-18-22(20,21)9-11-5-6-12(16)8-13(11)17/h5-6,8,14,18-19H,2-4,7,9-10H2,1H3
InChIKeyXEJSQYWSAVMUGV-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.33
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide

1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide (PubChem CID 110018928) has the molecular formula C15H21F2NO3S and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide
PubChem CID110018928
Molecular FormulaC15H21F2NO3S
Molecular Weight333.40 g/mol
Exact Mass333.12
IUPAC Name1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)Cc2ccc(F)cc2F)CCCCC1O
InChIInChI=1S/C15H21F2NO3S/c1-15(7-3-2-4-14(15)19)10-18-22(20,21)9-11-5-6-12(16)8-13(11)17/h5-6,8,14,18-19H,2-4,7,9-10H2,1H3
InChIKeyXEJSQYWSAVMUGV-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide
CID 84599149
2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
CID 65393607
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722476
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide
CID 95972468
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696192
1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide
CID 75475359
1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol
CID 110018860
2-[[(2-methoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696243
1-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methyl-3-[(1-methylcyclopentyl)methyl]guanidine
CID 109446199
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide (CID 110018928) is 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide is CC1(CNS(=O)(=O)Cc2ccc(F)cc2F)CCCCC1O.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide?
The InChIKey is XEJSQYWSAVMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3S/c1-15(7-3-2-4-14(15)19)10-18-22(20,21)9-11-5-6-12(16)8-13(11)17/h5-6,8,14,18-19H,2-4,7,9-10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide?
1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide has a molecular weight of 333.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 110018928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).