N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride

C10H14ClNO3S2 — CID 165437991

IUPACN-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCCS(=O)(=NS(=O)(=O)Cl)c1ccc(C)c(C)c1
InChIInChI=1S/C10H14ClNO3S2/c1-4-16(13,12-17(11,14)15)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
InChIKeyWERLTOTUGNCGCE-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.63
Rot. Bonds3

About N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride

N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 165437991) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID165437991
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC NameN-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCCS(=O)(=NS(=O)(=O)Cl)c1ccc(C)c(C)c1
InChIInChI=1S/C10H14ClNO3S2/c1-4-16(13,12-17(11,14)15)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
InChIKeyWERLTOTUGNCGCE-UHFFFAOYSA-N
XLogP2.63
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125425092
N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125424620
N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 165438024
(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125425039
4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene
CID 90181116
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268
gallium tris(3,4-dimethylbenzenesulfonate)
CID 22603969
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride
CID 81357871
3,4-dimethylbenzenesulfonic acid;iron
CID 174654800
3,4-dimethylbenzenesulfonic acid;hydrate
CID 155773835

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (CID 165437991) is N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is CCS(=O)(=NS(=O)(=O)Cl)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is WERLTOTUGNCGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-4-16(13,12-17(11,14)15)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 295.81 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 165437991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).