N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide

C19H17NO3S — CID 53324532

IUPACN-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C19H17NO3S/c1-14-3-2-4-19(13-14)24(22,23)20-17-9-5-15(6-10-17)16-7-11-18(21)12-8-16/h2-13,20-21H,1H3
InChIKeyJPKICDKOQYDTDG-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.17
Rot. Bonds4

About N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide

N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 53324532) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
PubChem CID53324532
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C19H17NO3S/c1-14-3-2-4-19(13-14)24(22,23)20-17-9-5-15(6-10-17)16-7-11-18(21)12-8-16/h2-13,20-21H,1H3
InChIKeyJPKICDKOQYDTDG-UHFFFAOYSA-N
XLogP4.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
CID 167965219
1-N-methyl-3-N-(4-methylphenyl)benzene-1,3-disulfonamide
CID 49186392
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide
CID 84512955
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094332
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
CID 54909431
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide (CID 53324532) is N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(O)cc3)cc2)c1.
What is the InChIKey of N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is JPKICDKOQYDTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-14-3-2-4-19(13-14)24(22,23)20-17-9-5-15(6-10-17)16-7-11-18(21)12-8-16/h2-13,20-21H,1H3.
What are the key properties of N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide?
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 53324532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).