3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide

C15H15ClFNO3S — CID 37478572

IUPAC3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H15ClFNO3S/c1-21-15-7-6-13(10-14(15)16)22(19,20)18-9-8-11-2-4-12(17)5-3-11/h2-7,10,18H,8-9H2,1H3
InChIKeyNBOXLRBKTKWCEB-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.01
Rot. Bonds6

About 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide

3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 37478572) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID37478572
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC Name3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H15ClFNO3S/c1-21-15-7-6-13(10-14(15)16)22(19,20)18-9-8-11-2-4-12(17)5-3-11/h2-7,10,18H,8-9H2,1H3
InChIKeyNBOXLRBKTKWCEB-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126082
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxybenzenesulfonamide
CID 16890872
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 16890439
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3-chloro-4-methoxy-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzenesulfonamide
CID 16890745

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide (CID 37478572) is 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is NBOXLRBKTKWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c1-21-15-7-6-13(10-14(15)16)22(19,20)18-9-8-11-2-4-12(17)5-3-11/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 37478572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).