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

C10H13ClFNO3S — CID 3607816

IUPAC2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO3S/c1-7(6-16-2)13-17(14,15)10-4-3-8(12)5-9(10)11/h3-5,7,13H,6H2,1-2H3
InChIKeyKIHRPRWOPJPSIQ-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.79
Rot. Bonds5

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

2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 3607816) has the molecular formula C10H13ClFNO3S and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID3607816
Molecular FormulaC10H13ClFNO3S
Molecular Weight281.74 g/mol
Exact Mass281.03
IUPAC Name2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO3S/c1-7(6-16-2)13-17(14,15)10-4-3-8(12)5-9(10)11/h3-5,7,13H,6H2,1-2H3
InChIKeyKIHRPRWOPJPSIQ-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 3607816) is 2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is KIHRPRWOPJPSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO3S/c1-7(6-16-2)13-17(14,15)10-4-3-8(12)5-9(10)11/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
2-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 2-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3607816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).