2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide

C10H11F2NO3S — CID 115902822

IUPAC2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CC1)c1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO3S/c11-7-1-2-9(8(12)5-7)17(15,16)13-10(6-14)3-4-10/h1-2,5,13-14H,3-4,6H2
InChIKeyIEFRHJPBCJKJJJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.77
Rot. Bonds4

About 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide

2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (PubChem CID 115902822) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
PubChem CID115902822
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CC1)c1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO3S/c11-7-1-2-9(8(12)5-7)17(15,16)13-10(6-14)3-4-10/h1-2,5,13-14H,3-4,6H2
InChIKeyIEFRHJPBCJKJJJ-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
2-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-4-nitrobenzenesulfonamide
CID 104600274
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044
N-[1-(hydroxymethyl)cyclopropyl]-2,4-dimethylbenzenesulfonamide
CID 113351337
4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide
CID 116530079
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525664
N-[1-(hydroxymethyl)cyclopropyl]-2,5-dimethylbenzenesulfonamide
CID 115902945
N-[(1-aminocyclohexyl)methyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 119958843
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (CID 115902822) is 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is O=S(=O)(NC1(CO)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is IEFRHJPBCJKJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c11-7-1-2-9(8(12)5-7)17(15,16)13-10(6-14)3-4-10/h1-2,5,13-14H,3-4,6H2.
What are the key properties of 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 263.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 115902822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).