3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C8H9ClFNO3S — CID 43502012

IUPAC3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1cccc(Cl)c1F
InChIInChI=1S/C8H9ClFNO3S/c9-6-2-1-3-7(8(6)10)15(13,14)11-4-5-12/h1-3,11-12H,4-5H2
InChIKeyCDCQXVTXBSEHEW-UHFFFAOYSA-N
MW253.68 g/mol
LogP0.75
Rot. Bonds4

About 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43502012) has the molecular formula C8H9ClFNO3S and a molecular weight of 253.68 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43502012
Molecular FormulaC8H9ClFNO3S
Molecular Weight253.68 g/mol
Exact Mass253.00
IUPAC Name3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1cccc(Cl)c1F
InChIInChI=1S/C8H9ClFNO3S/c9-6-2-1-3-7(8(6)10)15(13,14)11-4-5-12/h1-3,11-12H,4-5H2
InChIKeyCDCQXVTXBSEHEW-UHFFFAOYSA-N
XLogP0.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
CID 63251282
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
N-(2-hydroxyethyl)-2-phenylbenzenesulfonamide
CID 154485495
(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
CID 54991248
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837095
N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide
CID 113411801
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364
ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
CID 47309506
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
3-chloro-2-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916249

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 43502012) is 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is CDCQXVTXBSEHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO3S/c9-6-2-1-3-7(8(6)10)15(13,14)11-4-5-12/h1-3,11-12H,4-5H2.
What are the key properties of 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 253.68 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43502012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).