3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide

C9H11ClFNO3S — CID 43502351

IUPAC3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO3S/c1-6(13)5-12-16(14,15)7-2-3-9(11)8(10)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyGTQXTXNLAMWXNZ-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.14
Rot. Bonds4

About 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide

3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide (PubChem CID 43502351) has the molecular formula C9H11ClFNO3S and a molecular weight of 267.71 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
PubChem CID43502351
Molecular FormulaC9H11ClFNO3S
Molecular Weight267.71 g/mol
Exact Mass267.01
IUPAC Name3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO3S/c1-6(13)5-12-16(14,15)7-2-3-9(11)8(10)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyGTQXTXNLAMWXNZ-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
4-fluoro-N-(2-hydroxypropyl)-3-nitrobenzenesulfonamide
CID 43502399
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
CID 71781618
4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 50876549
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
3-chloro-N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-4-fluorobenzenesulfonamide
CID 124759644
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide (CID 43502351) is 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide is CC(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The InChIKey is GTQXTXNLAMWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO3S/c1-6(13)5-12-16(14,15)7-2-3-9(11)8(10)4-7/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide has a molecular weight of 267.71 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 43502351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).