N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide

C14H14ClNO4S2 — CID 134927709

IUPACN-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(C)(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO4S2/c1-11-3-9-14(10-4-11)22(18,19)16-21(2,17)20-13-7-5-12(15)6-8-13/h3-10H,1-2H3
InChIKeyLQMOJVDLFOLUPO-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.43
Rot. Bonds4

About N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide

N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 134927709) has the molecular formula C14H14ClNO4S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID134927709
Molecular FormulaC14H14ClNO4S2
Molecular Weight359.86 g/mol
Exact Mass359.01
IUPAC NameN-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(C)(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO4S2/c1-11-3-9-14(10-4-11)22(18,19)16-21(2,17)20-13-7-5-12(15)6-8-13/h3-10H,1-2H3
InChIKeyLQMOJVDLFOLUPO-UHFFFAOYSA-N
XLogP3.43
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(4-chlorophenyl) sulfate
CID 57162501
4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide
CID 134992604
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
(4-methylsulfonylphenyl) 4-methylbenzenesulfonate
CID 20811037
(4-methylphenyl) (E)-2-(4-chlorophenyl)ethenesulfonate
CID 26946341
N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 163201515
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 46245550
1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
(4-chlorophenyl)-(4-methylphenyl)-(4-methylsulfonylphenyl)sulfanium
CID 58963853
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N-[[4-(chloromethyl)phenyl]-ethyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 153283469

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide (CID 134927709) is N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=S(C)(=O)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is LQMOJVDLFOLUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S2/c1-11-3-9-14(10-4-11)22(18,19)16-21(2,17)20-13-7-5-12(15)6-8-13/h3-10H,1-2H3.
What are the key properties of N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 359.86 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-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134927709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).