N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide

C20H18N2O2S — CID 171485898

IUPACN'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(N)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-15-7-13-19(14-8-15)25(23,24)22-20(21)18-11-9-17(10-12-18)16-5-3-2-4-6-16/h2-14H,1H3,(H2,21,22)
InChIKeyMDXIMZWACVVJBW-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.76
Rot. Bonds4

About N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide

N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide (PubChem CID 171485898) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
PubChem CID171485898
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(N)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-15-7-13-19(14-8-15)25(23,24)22-20(21)18-11-9-17(10-12-18)16-5-3-2-4-6-16/h2-14H,1H3,(H2,21,22)
InChIKeyMDXIMZWACVVJBW-UHFFFAOYSA-N
XLogP3.76
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N'-amino-4-(4-methylphenyl)benzenecarboximidamide
CID 6860627
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
azulene;4-methylbenzenesulfonic acid
CID 172756596
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide (CID 171485898) is N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)N=C(N)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide?
The InChIKey is MDXIMZWACVVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-15-7-13-19(14-8-15)25(23,24)22-20(21)18-11-9-17(10-12-18)16-5-3-2-4-6-16/h2-14H,1H3,(H2,21,22).
What are the key properties of N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide?
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide has a molecular weight of 350.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide is sourced from PubChem (CID 171485898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).