N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide

C20H16N2O2S — CID 22292988

IUPACN-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H16N2O2S/c1-16-7-13-20(14-8-16)25(23,24)22(18-5-3-2-4-6-18)19-11-9-17(15-21)10-12-19/h2-14H,1H3
InChIKeyDVFVBDUYGYMDTD-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.39
Rot. Bonds4

About N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide

N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 22292988) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID22292988
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H16N2O2S/c1-16-7-13-20(14-8-16)25(23,24)22(18-5-3-2-4-6-18)19-11-9-17(15-21)10-12-19/h2-14H,1H3
InChIKeyDVFVBDUYGYMDTD-UHFFFAOYSA-N
XLogP4.39
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
2-(4-cyano-N-methylanilino)ethyl 4-methylbenzenesulfonate
CID 86222074
4-methylbenzonitrile;[(E)-prop-1-enyl]benzene;1,4-xylene
CID 143368979
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 25497895
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
3-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158097800
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
N-(4-cyanophenyl)methanesulfonohydrazide
CID 163198401
N,N-bis(4-hydroxyphenyl)benzenesulfonamide
CID 44580343

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide (CID 22292988) is N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is DVFVBDUYGYMDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-16-7-13-20(14-8-16)25(23,24)22(18-5-3-2-4-6-18)19-11-9-17(15-21)10-12-19/h2-14H,1H3.
What are the key properties of N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide?
N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 22292988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).