N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide

C16H15ClFNO3S — CID 100542077

IUPACN-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H15ClFNO3S/c1-3-10-19(15-7-5-4-6-13(15)17)23(20,21)12-8-9-16(22-2)14(18)11-12/h3-9,11H,1,10H2,2H3
InChIKeyYPQXQPOHRXWUFS-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.87
Rot. Bonds6

About N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide

N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 100542077) has the molecular formula C16H15ClFNO3S and a molecular weight of 355.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID100542077
Molecular FormulaC16H15ClFNO3S
Molecular Weight355.82 g/mol
Exact Mass355.04
IUPAC NameN-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H15ClFNO3S/c1-3-10-19(15-7-5-4-6-13(15)17)23(20,21)12-8-9-16(22-2)14(18)11-12/h3-9,11H,1,10H2,2H3
InChIKeyYPQXQPOHRXWUFS-UHFFFAOYSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-chlorophenyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100510758
methyl 4-chloro-3-[(3-fluoro-4-methoxyphenyl)sulfonyl-prop-2-enylamino]benzoate
CID 100546076
3-fluoro-4-methoxy-N-(2-methoxy-5-nitrophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100545305
N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530860
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 26095075
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
2-(3-chloro-N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetic acid
CID 100544359
3-chloro-4-methoxy-N-(2-methoxy-5-nitrophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100513696
(3,3-dimethyl-2-oxobutyl) 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 42977798
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
methyl 2-(2-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510771
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100513141

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide (CID 100542077) is N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is YPQXQPOHRXWUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3S/c1-3-10-19(15-7-5-4-6-13(15)17)23(20,21)12-8-9-16(22-2)14(18)11-12/h3-9,11H,1,10H2,2H3.
What are the key properties of N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide?
N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 355.82 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 100542077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).