N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide

C14H14BrNO2S2 — CID 85398945

IUPACN-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(C)c2ccccc2Br)cc1
InChIInChI=1S/C14H14BrNO2S2/c1-11-7-9-12(10-8-11)20(17,18)16-19(2)14-6-4-3-5-13(14)15/h3-10H,1-2H3
InChIKeyWJSOMUYCCBVAPZ-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.94
Rot. Bonds3

About N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide

N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 85398945) has the molecular formula C14H14BrNO2S2 and a molecular weight of 372.31 g/mol. Its IUPAC name is N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID85398945
Molecular FormulaC14H14BrNO2S2
Molecular Weight372.31 g/mol
Exact Mass370.96
IUPAC NameN-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(C)c2ccccc2Br)cc1
InChIInChI=1S/C14H14BrNO2S2/c1-11-7-9-12(10-8-11)20(17,18)16-19(2)14-6-4-3-5-13(14)15/h3-10H,1-2H3
InChIKeyWJSOMUYCCBVAPZ-UHFFFAOYSA-N
XLogP3.94
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide
CID 11151913
(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide
CID 15973622
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide
CID 92533909
(NZ)-N-[(2-bromophenyl)-(2-chloro-1-ethoxyethyl)-λ4-sulfanylidene]benzenesulfonamide
CID 6022425
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
1-bromo-2-(4-methylphenyl)sulfonylsulfanylbenzene
CID 122202525
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
(NE)-4-methyl-N-[(4-methylphenyl)-[(Z)-2-phenylethenyl]-λ4-sulfanylidene]benzenesulfonamide
CID 15968302
1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene
CID 10903898
(NE)-N-[ethenyl(ethyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 121223017
(NE)-N-[(2,2-dichlorocyclopropyl)methyl-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 46500093

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 85398945) is N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=S(C)c2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is WJSOMUYCCBVAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S2/c1-11-7-9-12(10-8-11)20(17,18)16-19(2)14-6-4-3-5-13(14)15/h3-10H,1-2H3.
What are the key properties of N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 372.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 85398945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).