5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide

C13H17ClFNO3S — CID 114551650

IUPAC5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(Cl)cc(CO)c2F)C1
InChIInChI=1S/C13H17ClFNO3S/c1-8-2-3-11(4-8)16-20(18,19)12-6-10(14)5-9(7-17)13(12)15/h5-6,8,11,16-17H,2-4,7H2,1H3
InChIKeyLYPGIEXCEQIHAE-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide

5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114551650) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114551650
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(Cl)cc(CO)c2F)C1
InChIInChI=1S/C13H17ClFNO3S/c1-8-2-3-11(4-8)16-20(18,19)12-6-10(14)5-9(7-17)13(12)15/h5-6,8,11,16-17H,2-4,7H2,1H3
InChIKeyLYPGIEXCEQIHAE-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552033
3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551861
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551624
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891157
5-chloro-3-(ethylaminomethyl)-2-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072508
2,5-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000226
5-chloro-2-fluoro-3-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084530
4-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551656
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
CID 114546471
2-chloro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114550771
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114551650) is 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2cc(Cl)cc(CO)c2F)C1.
What is the InChIKey of 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is LYPGIEXCEQIHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c1-8-2-3-11(4-8)16-20(18,19)12-6-10(14)5-9(7-17)13(12)15/h5-6,8,11,16-17H,2-4,7H2,1H3.
What are the key properties of 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 321.80 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114551650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).