2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

C13H17ClFNO3S — CID 103815165

IUPAC2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1CO)c1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFNO3S/c14-11-6-5-10(15)7-13(11)20(18,19)16-12-4-2-1-3-9(12)8-17/h5-7,9,12,16-17H,1-4,8H2
InChIKeyJTQYJOILQRVEDV-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.31
Rot. Bonds4

About 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide (PubChem CID 103815165) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
PubChem CID103815165
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1CO)c1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFNO3S/c14-11-6-5-10(15)7-13(11)20(18,19)16-12-4-2-1-3-9(12)8-17/h5-7,9,12,16-17H,1-4,8H2
InChIKeyJTQYJOILQRVEDV-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide
CID 104940851
4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzenesulfonamide
CID 106364589
2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
CID 106367511
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide (CID 103815165) is 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1CO)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is JTQYJOILQRVEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c14-11-6-5-10(15)7-13(11)20(18,19)16-12-4-2-1-3-9(12)8-17/h5-7,9,12,16-17H,1-4,8H2.
What are the key properties of 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 321.80 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 103815165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).