N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide

C19H17NO3S — CID 135030987

IUPACN-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)c2cccc(O)c2)cc1
InChIInChI=1S/C19H17NO3S/c1-15-10-12-19(13-11-15)24(22,23)20(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-14,21H,1H3
InChIKeyXUJLVRHUUPYDOT-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.23
Rot. Bonds4

About N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide

N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 135030987) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID135030987
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)c2cccc(O)c2)cc1
InChIInChI=1S/C19H17NO3S/c1-15-10-12-19(13-11-15)24(22,23)20(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-14,21H,1H3
InChIKeyXUJLVRHUUPYDOT-UHFFFAOYSA-N
XLogP4.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide (CID 135030987) is N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2)c2cccc(O)c2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is XUJLVRHUUPYDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-15-10-12-19(13-11-15)24(22,23)20(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-14,21H,1H3.
What are the key properties of N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide?
N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 135030987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).