N-methyl-4-phenoxy-N-phenylbenzenesulfonamide

C19H17NO3S — CID 802691

IUPACN-methyl-4-phenoxy-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H17NO3S/c1-20(16-8-4-2-5-9-16)24(21,22)19-14-12-18(13-15-19)23-17-10-6-3-7-11-17/h2-15H,1H3
InChIKeySUCTVSUKTNHEDG-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.30
Rot. Bonds5

About N-methyl-4-phenoxy-N-phenylbenzenesulfonamide

N-methyl-4-phenoxy-N-phenylbenzenesulfonamide (PubChem CID 802691) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-methyl-4-phenoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-phenoxy-N-phenylbenzenesulfonamide
PubChem CID802691
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-methyl-4-phenoxy-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H17NO3S/c1-20(16-8-4-2-5-9-16)24(21,22)19-14-12-18(13-15-19)23-17-10-6-3-7-11-17/h2-15H,1H3
InChIKeySUCTVSUKTNHEDG-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide
CID 110827096
4-(2-methoxyphenyl)-N-methyl-N-phenylbenzenesulfonamide
CID 73351058
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
CID 925037
[4-[methyl(phenyl)sulfamoyl]phenyl] 4-nitrobenzoate
CID 139645113

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-methyl-4-phenoxy-N-phenylbenzenesulfonamide (CID 802691) is N-methyl-4-phenoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-phenoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-phenoxy-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-4-phenoxy-N-phenylbenzenesulfonamide?
The InChIKey is SUCTVSUKTNHEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-20(16-8-4-2-5-9-16)24(21,22)19-14-12-18(13-15-19)23-17-10-6-3-7-11-17/h2-15H,1H3.
What are the key properties of N-methyl-4-phenoxy-N-phenylbenzenesulfonamide?
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 802691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).