(NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide

C21H21NO2S2 — CID 134881547

IUPAC(NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\c2ccccc2)C(C)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2S2/c1-17-13-15-21(16-14-17)26(23,24)22-25(20-11-7-4-8-12-20)18(2)19-9-5-3-6-10-19/h3-16,18H,1-2H3
InChIKeyDJXRVWAANMBCDC-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.31
Rot. Bonds5

About (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide

(NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide (PubChem CID 134881547) has the molecular formula C21H21NO2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide
PubChem CID134881547
Molecular FormulaC21H21NO2S2
Molecular Weight383.54 g/mol
Exact Mass383.10
IUPAC Name(NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\c2ccccc2)C(C)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2S2/c1-17-13-15-21(16-14-17)26(23,24)22-25(20-11-7-4-8-12-20)18(2)19-9-5-3-6-10-19/h3-16,18H,1-2H3
InChIKeyDJXRVWAANMBCDC-UHFFFAOYSA-N
XLogP5.31
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide (CID 134881547) is (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=S(\c2ccccc2)C(C)c2ccccc2)cc1.
What is the InChIKey of (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide?
The InChIKey is DJXRVWAANMBCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S2/c1-17-13-15-21(16-14-17)26(23,24)22-25(20-11-7-4-8-12-20)18(2)19-9-5-3-6-10-19/h3-16,18H,1-2H3.
What are the key properties of (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide?
(NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide has a molecular weight of 383.54 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-[phenyl(1-phenylethyl)-λ4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 134881547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).