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

C11H15ClFNO3S — CID 3821518

IUPAC3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
SMILESCCC(COC)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO3S/c1-3-8(7-17-2)14-18(15,16)9-4-5-11(13)10(12)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyRNEMNCCDBDVCCO-UHFFFAOYSA-N
MW295.76 g/mol
LogP2.18
Rot. Bonds6

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

3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 3821518) has the molecular formula C11H15ClFNO3S and a molecular weight of 295.76 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
PubChem CID3821518
Molecular FormulaC11H15ClFNO3S
Molecular Weight295.76 g/mol
Exact Mass295.04
IUPAC Name3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
SMILESCCC(COC)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO3S/c1-3-8(7-17-2)14-18(15,16)9-4-5-11(13)10(12)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyRNEMNCCDBDVCCO-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 106185125
3-amino-4-bromo-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 115329434
N-(4-bromo-1-methoxybutan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 114151678
N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide
CID 3754148
4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 114151632
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 106068281
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
4-fluoro-3-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132220
3-chloro-N-[(1R)-1-cyanoethyl]-4-fluorobenzenesulfonamide
CID 97061579
2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide (CID 3821518) is 3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide is CCC(COC)NS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is RNEMNCCDBDVCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO3S/c1-3-8(7-17-2)14-18(15,16)9-4-5-11(13)10(12)6-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide?
3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 295.76 g/mol, XLogP of 2.18, 6 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-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3821518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).