4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C15H23FN2O2S — CID 79116751

IUPAC4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C15H23FN2O2S/c1-11-10-12(16)4-9-15(11)21(19,20)18(3)14-7-5-13(17-2)6-8-14/h4,9-10,13-14,17H,5-8H2,1-3H3
InChIKeyZLQDVXNOGDGBAT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.29
Rot. Bonds4

About 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79116751) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79116751
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C15H23FN2O2S/c1-11-10-12(16)4-9-15(11)21(19,20)18(3)14-7-5-13(17-2)6-8-14/h4,9-10,13-14,17H,5-8H2,1-3H3
InChIKeyZLQDVXNOGDGBAT-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118122
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 43577627
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60545461
2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79110620
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118279
methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
CID 113230618
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79116751) is 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(N(C)S(=O)(=O)c2ccc(F)cc2C)CC1.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is ZLQDVXNOGDGBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-10-12(16)4-9-15(11)21(19,20)18(3)14-7-5-13(17-2)6-8-14/h4,9-10,13-14,17H,5-8H2,1-3H3.
What are the key properties of 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79116751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).