1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide

C16H23F2NO3S — CID 75475359

IUPAC1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide
SMILESCC(C)OC1CCC(NS(=O)(=O)Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2NO3S/c1-11(2)22-15-7-5-14(6-8-15)19-23(20,21)10-12-3-4-13(17)9-16(12)18/h3-4,9,11,14-15,19H,5-8,10H2,1-2H3
InChIKeyJCOSUEJHQRYDNP-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.12
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide

1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide (PubChem CID 75475359) has the molecular formula C16H23F2NO3S and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide
PubChem CID75475359
Molecular FormulaC16H23F2NO3S
Molecular Weight347.43 g/mol
Exact Mass347.14
IUPAC Name1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide
SMILESCC(C)OC1CCC(NS(=O)(=O)Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2NO3S/c1-11(2)22-15-7-5-14(6-8-15)19-23(20,21)10-12-3-4-13(17)9-16(12)18/h3-4,9,11,14-15,19H,5-8,10H2,1-2H3
InChIKeyJCOSUEJHQRYDNP-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90635069
1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90634554
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472
4-[(2-cyano-4-fluorophenyl)methylsulfonylamino]cyclohexane-1-carboxylic acid
CID 122071103
1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide
CID 84599149
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
1-(2,4-difluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 131914213
1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide
CID 110018928
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide
CID 58421492
1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 110018886
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide (CID 75475359) is 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide is CC(C)OC1CCC(NS(=O)(=O)Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide?
The InChIKey is JCOSUEJHQRYDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3S/c1-11(2)22-15-7-5-14(6-8-15)19-23(20,21)10-12-3-4-13(17)9-16(12)18/h3-4,9,11,14-15,19H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide?
1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide has a molecular weight of 347.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide is sourced from PubChem (CID 75475359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).