N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride

C7H7Cl2NO3S2 — CID 165437984

IUPACN-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCS(=O)(=NS(=O)(=O)Cl)c1cccc(Cl)c1
InChIInChI=1S/C7H7Cl2NO3S2/c1-14(11,10-15(9,12)13)7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKeyKWKZJRJDOXFCLR-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.28
Rot. Bonds2

About N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride

N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 165437984) has the molecular formula C7H7Cl2NO3S2 and a molecular weight of 288.18 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID165437984
Molecular FormulaC7H7Cl2NO3S2
Molecular Weight288.18 g/mol
Exact Mass286.92
IUPAC NameN-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCS(=O)(=NS(=O)(=O)Cl)c1cccc(Cl)c1
InChIInChI=1S/C7H7Cl2NO3S2/c1-14(11,10-15(9,12)13)7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKeyKWKZJRJDOXFCLR-UHFFFAOYSA-N
XLogP2.28
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125424579
potassium 3-chlorobenzenesulfonamide
CID 19353487
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170
1-chloro-3-(1-chloroethylsulfonyl)benzene
CID 173357719
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739
(3-chlorophenyl)sulfonyl-methanidylazanium
CID 59280704
1-chloro-3-ethenylsulfonylbenzene
CID 62950197
3-chlorobenzenesulfonohydrazide
CID 12924057
azane;1,3-dichlorobenzene
CID 67301049
propyl 3-chlorobenzenesulfonate
CID 71397620

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (CID 165437984) is N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is CS(=O)(=NS(=O)(=O)Cl)c1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is KWKZJRJDOXFCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO3S2/c1-14(11,10-15(9,12)13)7-4-2-3-6(8)5-7/h2-5H,1H3.
What are the key properties of N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 288.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 165437984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).