2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C13H17F3N2O2S — CID 79118102

IUPAC2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C13H17F3N2O2S/c1-17-8-2-4-9(5-3-8)18-21(19,20)11-7-6-10(14)12(15)13(11)16/h6-9,17-18H,2-5H2,1H3
InChIKeyGVVACZHPNPRIEI-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.91
Rot. Bonds4

About 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79118102) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79118102
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C13H17F3N2O2S/c1-17-8-2-4-9(5-3-8)18-21(19,20)11-7-6-10(14)12(15)13(11)16/h6-9,17-18H,2-5H2,1H3
InChIKeyGVVACZHPNPRIEI-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 2471805
N-(cyclohexylcarbamothioyl)benzenesulfonamide
CID 726364
N-Cyclohexylbenzenesulfonamide
CID 232561
N-cyclohexyl-N-methylbenzenesulfonamide
CID 668788
N-cyclopentyl-2,5-difluorobenzenesulfonamide
CID 6468464
N,N'-pentane-1,5-diylbis(4-fluorobenzenesulfonamide)
CID 658488
4-Fluoro-N-(propan-2-yl)benzene-1-sulfonamide
CID 799031
N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668996
1-(4-Fluorophenyl)sulfonyl-2-methylpiperidine
CID 2842620
3-fluoro-N-(piperidin-3-yl)benzene-1-sulfonamide
CID 20117109
N-(piperidin-4-yl)benzenesulfonamide
CID 4778282
N-(piperidin-4-yl)benzenesulfonamide hydrochloride
CID 53255591

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79118102) is 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(NS(=O)(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is GVVACZHPNPRIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-17-8-2-4-9(5-3-8)18-21(19,20)11-7-6-10(14)12(15)13(11)16/h6-9,17-18H,2-5H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79118102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).