N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide

C14H19ClFNO2S — CID 106136234

IUPACN-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C14H19ClFNO2S/c1-10-8-13(16)6-7-14(10)20(18,19)17-9-11-2-4-12(15)5-3-11/h6-8,11-12,17H,2-5,9H2,1H3
InChIKeyYOODZMKBCQSTNT-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.21
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide

N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 106136234) has the molecular formula C14H19ClFNO2S and a molecular weight of 319.83 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID106136234
Molecular FormulaC14H19ClFNO2S
Molecular Weight319.83 g/mol
Exact Mass319.08
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C14H19ClFNO2S/c1-10-8-13(16)6-7-14(10)20(18,19)17-9-11-2-4-12(15)5-3-11/h6-8,11-12,17H,2-5,9H2,1H3
InChIKeyYOODZMKBCQSTNT-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
4-fluoro-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110413676
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110875681
N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide
CID 106125576
N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110736222
N-[(3-chlorocyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
CID 106135987
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110723011
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide (CID 106136234) is N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC1CCC(Cl)CC1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is YOODZMKBCQSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2S/c1-10-8-13(16)6-7-14(10)20(18,19)17-9-11-2-4-12(15)5-3-11/h6-8,11-12,17H,2-5,9H2,1H3.
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 319.83 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 106136234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).