3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide

C16H17ClFNO3S — CID 166940333

IUPAC3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2c(F)cccc2OC)c(Cl)c1
InChIInChI=1S/C16H17ClFNO3S/c1-3-9-19-23(20,21)11-7-8-12(13(17)10-11)16-14(18)5-4-6-15(16)22-2/h4-8,10,19H,3,9H2,1-2H3
InChIKeyJSXIBOHRGIDXPO-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.84
Rot. Bonds6

About 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide

3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide (PubChem CID 166940333) has the molecular formula C16H17ClFNO3S and a molecular weight of 357.83 g/mol. Its IUPAC name is 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide
PubChem CID166940333
Molecular FormulaC16H17ClFNO3S
Molecular Weight357.83 g/mol
Exact Mass357.06
IUPAC Name3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2c(F)cccc2OC)c(Cl)c1
InChIInChI=1S/C16H17ClFNO3S/c1-3-9-19-23(20,21)11-7-8-12(13(17)10-11)16-14(18)5-4-6-15(16)22-2/h4-8,10,19H,3,9H2,1-2H3
InChIKeyJSXIBOHRGIDXPO-UHFFFAOYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-chloroethyl)-4-(2,6-dimethoxyphenyl)benzenesulfonamide
CID 162435606
4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide
CID 166940341
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-chloro-4-(difluoromethoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62662809
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
4-chloro-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 91608632
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide (CID 166940333) is 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(-c2c(F)cccc2OC)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide?
The InChIKey is JSXIBOHRGIDXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO3S/c1-3-9-19-23(20,21)11-7-8-12(13(17)10-11)16-14(18)5-4-6-15(16)22-2/h4-8,10,19H,3,9H2,1-2H3.
What are the key properties of 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide?
3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide has a molecular weight of 357.83 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-fluoro-6-methoxyphenyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 166940333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).