4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide

C19H17NO3S2 — CID 12506494

IUPAC4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17NO3S2/c1-16-12-14-19(15-13-16)25(22,23)20-24(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyHCHTYDFAVLTULT-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.27
Rot. Bonds4

About 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide

4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide (PubChem CID 12506494) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
PubChem CID12506494
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17NO3S2/c1-16-12-14-19(15-13-16)25(22,23)20-24(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyHCHTYDFAVLTULT-UHFFFAOYSA-N
XLogP4.27
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[oxo-phenyl-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 15890169
N-[[(R)-fluoro(phenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86328639
N-[[(S)-fluoro-(4-methylphenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337609
N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 163201515
N-(4-methylphenyl)iminobenzenesulfonamide
CID 10869025
N-[[(2R)-2-hydroxy-3-methylbutyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 10474967
N-[2-(diethylamino)ethyl-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 101212834
N-[[(R)-fluoro-(4-fluorophenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337606
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
CID 172832432
CID 172832432
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1-[bis(benzenesulfonyl)methylsulfonyl]-4-methylbenzene
CID 153470186

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide (CID 12506494) is 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=S(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide?
The InChIKey is HCHTYDFAVLTULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-16-12-14-19(15-13-16)25(22,23)20-24(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide?
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide has a molecular weight of 371.48 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 12506494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).