3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide

C10H13ClFNO3S — CID 5184702

IUPAC3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO3S/c1-7(6-16-2)13-17(14,15)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyDBWHXSIVRGGLTE-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.79
Rot. Bonds5

About 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide

3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 5184702) has the molecular formula C10H13ClFNO3S and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID5184702
Molecular FormulaC10H13ClFNO3S
Molecular Weight281.74 g/mol
Exact Mass281.03
IUPAC Name3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO3S/c1-7(6-16-2)13-17(14,15)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyDBWHXSIVRGGLTE-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 3821518
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
3-chloro-N-[(1R)-1-cyanoethyl]-4-fluorobenzenesulfonamide
CID 97061579
2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456723
4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide
CID 9213087
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 81461406
3-chloro-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-5-nitrobenzenesulfonamide
CID 8777981
2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 130178989
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 5184702) is 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is DBWHXSIVRGGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO3S/c1-7(6-16-2)13-17(14,15)8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 281.74 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 5184702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).