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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Related Compounds

4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 18930755
4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 16753763
4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451410
4-[4,5-difluoro-2-[4-methyl-3,5-bis(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451284
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370417
4-[3-(4-chloro-3-methylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide
CID 22746744
4-[2-(4-chloro-3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10621806
4-[3-(4-chloro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745952
4-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451308
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251

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).