N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide

C14H12F3NO4S2 — CID 2820609

IUPACN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C14H12F3NO4S2/c1-23(19,12-5-3-2-4-6-12)18-24(20,21)13-9-7-11(8-10-13)22-14(15,16)17/h2-10H,1H3
InChIKeyZLSARVOYUMTUHB-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.43
Rot. Bonds4

About N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide

N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 2820609) has the molecular formula C14H12F3NO4S2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID2820609
Molecular FormulaC14H12F3NO4S2
Molecular Weight379.38 g/mol
Exact Mass379.02
IUPAC NameN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C14H12F3NO4S2/c1-23(19,12-5-3-2-4-6-12)18-24(20,21)13-9-7-11(8-10-13)22-14(15,16)17/h2-10H,1H3
InChIKeyZLSARVOYUMTUHB-UHFFFAOYSA-N
XLogP3.43
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

SB-3CT
CID 9883002
3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol
CID 10267279
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol
CID 15516780
3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol
CID 18411961
3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol
CID 19366816
3-(4-Methoxy-benzenesulfonyl)-hexane-1-thiol
CID 19366844
3-(4-Methoxy-benzenesulfonyl)-pentane-1-thiol
CID 19366856
Benzenesulfonamide, 4,4'-oxybis-
CID 82054
4-Phenoxybenzenesulfonamide
CID 838564
Vinylsulfone, 7
CID 44513271
1-Ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene
CID 647878

Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide (CID 2820609) is N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide is CS(=O)(=NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZLSARVOYUMTUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S2/c1-23(19,12-5-3-2-4-6-12)18-24(20,21)13-9-7-11(8-10-13)22-14(15,16)17/h2-10H,1H3.
What are the key properties of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide?
N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 379.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 2820609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).