N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide

C22H22N2O2S — CID 110827502

IUPACN-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(NC/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-24(21-12-6-3-7-13-21)27(25,26)22-16-14-20(15-17-22)23-18-8-11-19-9-4-2-5-10-19/h2-17,23H,18H2,1H3/b11-8+
InChIKeyJISGVKFIFPOIAX-DHZHZOJOSA-N
MW378.50 g/mol
LogP4.64
Rot. Bonds7

About N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide

N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide (PubChem CID 110827502) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide
PubChem CID110827502
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(NC/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-24(21-12-6-3-7-13-21)27(25,26)22-16-14-20(15-17-22)23-18-8-11-19-9-4-2-5-10-19/h2-17,23H,18H2,1H3/b11-8+
InChIKeyJISGVKFIFPOIAX-DHZHZOJOSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 4778490
ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503
N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide
CID 110827096
N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
CID 4958602
benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate
CID 4935758
4-ethoxy-N-(3-phenylprop-2-enyl)aniline
CID 4202531
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide (CID 110827502) is N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc(NC/C=C/c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide?
The InChIKey is JISGVKFIFPOIAX-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-24(21-12-6-3-7-13-21)27(25,26)22-16-14-20(15-17-22)23-18-8-11-19-9-4-2-5-10-19/h2-17,23H,18H2,1H3/b11-8+.
What are the key properties of N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide?
N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide is sourced from PubChem (CID 110827502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).