4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide

C19H14ClF2NO3S — CID 10179720

IUPAC4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C19H14ClF2NO3S/c1-26-19-7-4-12(8-16(19)20)15-10-18(22)17(21)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyMSULOQJDYOQZPZ-UHFFFAOYSA-N
MW409.84 g/mol
LogP4.61
Rot. Bonds4

About 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide

4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 10179720) has the molecular formula C19H14ClF2NO3S and a molecular weight of 409.84 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID10179720
Molecular FormulaC19H14ClF2NO3S
Molecular Weight409.84 g/mol
Exact Mass409.04
IUPAC Name4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C19H14ClF2NO3S/c1-26-19-7-4-12(8-16(19)20)15-10-18(22)17(21)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyMSULOQJDYOQZPZ-UHFFFAOYSA-N
XLogP4.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide (CID 10179720) is 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide is COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is MSULOQJDYOQZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO3S/c1-26-19-7-4-12(8-16(19)20)15-10-18(22)17(21)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25).
What are the key properties of 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 409.84 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 10179720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).