2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

C14H19ClFNO3S — CID 62525664

IUPAC2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H19ClFNO3S/c1-10-3-2-6-14(8-10,9-18)17-21(19,20)13-5-4-11(16)7-12(13)15/h4-5,7,10,17-18H,2-3,6,8-9H2,1H3
InChIKeyYMIYVCUQTWTPDV-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (PubChem CID 62525664) has the molecular formula C14H19ClFNO3S and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
PubChem CID62525664
Molecular FormulaC14H19ClFNO3S
Molecular Weight335.83 g/mol
Exact Mass335.08
IUPAC Name2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H19ClFNO3S/c1-10-3-2-6-14(8-10,9-18)17-21(19,20)13-5-4-11(16)7-12(13)15/h4-5,7,10,17-18H,2-3,6,8-9H2,1H3
InChIKeyYMIYVCUQTWTPDV-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(bromomethyl)-3-methylcyclohexyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400688
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,5-difluorobenzenesulfonamide
CID 65032875
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
N-[1-(bromomethyl)-3-methylcyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293939
3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525698
4-amino-2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525701
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
4-bromo-2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62526692
5-bromo-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-sulfonamide
CID 80577795
4-amino-3-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 82845931
2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527401
1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (CID 62525664) is 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is CC1CCCC(CO)(NS(=O)(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The InChIKey is YMIYVCUQTWTPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO3S/c1-10-3-2-6-14(8-10,9-18)17-21(19,20)13-5-4-11(16)7-12(13)15/h4-5,7,10,17-18H,2-3,6,8-9H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide has a molecular weight of 335.83 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62525664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).