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

C19H14ClF2NO2S — CID 10810604

IUPAC4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C19H14ClF2NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyQRQGMZAVXNCVOI-UHFFFAOYSA-N
MW393.84 g/mol
LogP4.91
Rot. Bonds3

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

4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 10810604) has the molecular formula C19H14ClF2NO2S and a molecular weight of 393.84 g/mol. Its IUPAC name is 4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID10810604
Molecular FormulaC19H14ClF2NO2S
Molecular Weight393.84 g/mol
Exact Mass393.04
IUPAC Name4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C19H14ClF2NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyQRQGMZAVXNCVOI-UHFFFAOYSA-N
XLogP4.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide (CID 10810604) is 4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide is Cc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1Cl.
What is the InChIKey of 4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is QRQGMZAVXNCVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25).
What are the key properties of 4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 393.84 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 10810604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).