2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide

C14H20FNO3S2 — CID 106000964

IUPAC2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2cc(CO)ccc2F)CC1
InChIInChI=1S/C14H20FNO3S2/c1-20-12-5-3-11(4-6-12)16-21(18,19)14-8-10(9-17)2-7-13(14)15/h2,7-8,11-12,16-17H,3-6,9H2,1H3
InChIKeyNEXBYBJDFXEKOY-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.27
Rot. Bonds5

About 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide

2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide (PubChem CID 106000964) has the molecular formula C14H20FNO3S2 and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
PubChem CID106000964
Molecular FormulaC14H20FNO3S2
Molecular Weight333.45 g/mol
Exact Mass333.09
IUPAC Name2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2cc(CO)ccc2F)CC1
InChIInChI=1S/C14H20FNO3S2/c1-20-12-5-3-11(4-6-12)16-21(18,19)14-8-10(9-17)2-7-13(14)15/h2,7-8,11-12,16-17H,3-6,9H2,1H3
InChIKeyNEXBYBJDFXEKOY-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000991
2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943
4-(hydroxymethyl)-2-methoxy-N-(3-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001705
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide
CID 106000954
5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106000990
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054
N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106000983
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide
CID 106001804
1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001768
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
CID 65036561

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide (CID 106000964) is 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide is CSC1CCC(NS(=O)(=O)c2cc(CO)ccc2F)CC1.
What is the InChIKey of 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide?
The InChIKey is NEXBYBJDFXEKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S2/c1-20-12-5-3-11(4-6-12)16-21(18,19)14-8-10(9-17)2-7-13(14)15/h2,7-8,11-12,16-17H,3-6,9H2,1H3.
What are the key properties of 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide?
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106000964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).