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

C14H15NO2S2 — CID 5398135

IUPAC(NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(/C)c2ccccc2)cc1
InChIInChI=1S/C14H15NO2S2/c1-12-8-10-14(11-9-12)19(16,17)15-18(2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyXMOIPBDNUQHKJO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds3

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

(NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide (PubChem CID 5398135) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide
PubChem CID5398135
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name(NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(/C)c2ccccc2)cc1
InChIInChI=1S/C14H15NO2S2/c1-12-8-10-14(11-9-12)19(16,17)15-18(2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyXMOIPBDNUQHKJO-UHFFFAOYSA-N
XLogP3.17
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
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-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide (CID 5398135) is (NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=S(/C)c2ccccc2)cc1.
What is the InChIKey of (NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide?
The InChIKey is XMOIPBDNUQHKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-12-8-10-14(11-9-12)19(16,17)15-18(2)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of (NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide?
(NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide has a molecular weight of 293.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-[methyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 5398135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).