N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide

C14H18ClF2NO2S — CID 65032875

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide
SMILESCC1CCCC(CCl)(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H18ClF2NO2S/c1-10-3-2-6-14(8-10,9-15)18-21(19,20)13-7-11(16)4-5-12(13)17/h4-5,7,10,18H,2-3,6,8-9H2,1H3
InChIKeyRZNMLYHSIRLEET-UHFFFAOYSA-N
MW337.82 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide

N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide (PubChem CID 65032875) has the molecular formula C14H18ClF2NO2S and a molecular weight of 337.82 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide
PubChem CID65032875
Molecular FormulaC14H18ClF2NO2S
Molecular Weight337.82 g/mol
Exact Mass337.07
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide
SMILESCC1CCCC(CCl)(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H18ClF2NO2S/c1-10-3-2-6-14(8-10,9-15)18-21(19,20)13-7-11(16)4-5-12(13)17/h4-5,7,10,18H,2-3,6,8-9H2,1H3
InChIKeyRZNMLYHSIRLEET-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 53.43
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

2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525664
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400688
N-[1-(bromomethyl)-3-methylcyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293939
1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029735
N-[1-(bromomethyl)-3-methylcyclohexyl]-3,4-difluorobenzenesulfonamide
CID 114293927
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-fluoro-3-methylbenzamide
CID 114303948
N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
4-amino-3-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 82845931
N-[1-(chloromethyl)-3-methylcyclohexyl]-3,4,5-trifluorobenzamide
CID 114304031
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
N-[1-(chloromethyl)-3-methylcyclohexyl]-1-methylpyrazole-4-sulfonamide
CID 65032368
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,6-difluorobenzamide
CID 114304014

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide (CID 65032875) is N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide is CC1CCCC(CCl)(NS(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is RZNMLYHSIRLEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2S/c1-10-3-2-6-14(8-10,9-15)18-21(19,20)13-7-11(16)4-5-12(13)17/h4-5,7,10,18H,2-3,6,8-9H2,1H3.
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 337.82 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 65032875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).