4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide

C18H17F2NO3S — CID 45279229

IUPAC4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C18H17F2NO3S/c19-13-3-10-17(18(20)11-13)12-1-8-16(9-2-12)25(23,24)21-14-4-6-15(22)7-5-14/h1-3,8-11,14,21H,4-7H2
InChIKeyDHFCTLFZTLRZAU-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.42
Rot. Bonds4

About 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide

4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide (PubChem CID 45279229) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide
PubChem CID45279229
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C18H17F2NO3S/c19-13-3-10-17(18(20)11-13)12-1-8-16(9-2-12)25(23,24)21-14-4-6-15(22)7-5-14/h1-3,8-11,14,21H,4-7H2
InChIKeyDHFCTLFZTLRZAU-UHFFFAOYSA-N
XLogP3.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide (CID 45279229) is 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide is O=C1CCC(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide?
The InChIKey is DHFCTLFZTLRZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c19-13-3-10-17(18(20)11-13)12-1-8-16(9-2-12)25(23,24)21-14-4-6-15(22)7-5-14/h1-3,8-11,14,21H,4-7H2.
What are the key properties of 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide?
4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide has a molecular weight of 365.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide is sourced from PubChem (CID 45279229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).