4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide

C19H17NO3S — CID 169370090

IUPAC4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C19H17NO3S/c1-15-10-12-19(13-11-15)24(21,22)20-16-6-5-9-18(14-16)23-17-7-3-2-4-8-17/h2-14,20H,1H3
InChIKeyCFBAPRYPQIRYFJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.59
Rot. Bonds5

About 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide

4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide (PubChem CID 169370090) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
PubChem CID169370090
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C19H17NO3S/c1-15-10-12-19(13-11-15)24(21,22)20-16-6-5-9-18(14-16)23-17-7-3-2-4-8-17/h2-14,20H,1H3
InChIKeyCFBAPRYPQIRYFJ-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330
4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
sodium N-(3-phenoxyphenyl)sulfamate
CID 23683372
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087
[4-[(3-methylphenyl)sulfamoyl]phenyl] 4-methylbenzenesulfonate
CID 20705329
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
CID 20705319
4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
CID 169372850
[3-methyl-5-[(4-methylphenyl)sulfonylamino]phenyl] benzenesulfonate
CID 23206315

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide (CID 169370090) is 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide?
The InChIKey is CFBAPRYPQIRYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-15-10-12-19(13-11-15)24(21,22)20-16-6-5-9-18(14-16)23-17-7-3-2-4-8-17/h2-14,20H,1H3.
What are the key properties of 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide?
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 169370090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).