N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride

C8H9Cl2NO3S2 — CID 125424620

IUPACN-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCC[S@](=O)(=NS(=O)(=O)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C8H9Cl2NO3S2/c1-2-15(12,11-16(10,13)14)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/t15-/m1/s1
InChIKeyIFTZAOHCJMCAPD-OAHLLOKOSA-N
MW302.20 g/mol
LogP2.67
Rot. Bonds3

About N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride

N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 125424620) has the molecular formula C8H9Cl2NO3S2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID125424620
Molecular FormulaC8H9Cl2NO3S2
Molecular Weight302.20 g/mol
Exact Mass300.94
IUPAC NameN-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCC[S@](=O)(=NS(=O)(=O)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C8H9Cl2NO3S2/c1-2-15(12,11-16(10,13)14)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/t15-/m1/s1
InChIKeyIFTZAOHCJMCAPD-OAHLLOKOSA-N
XLogP2.67
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 165438024
N-[(3,4-dimethylphenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 165437991
N-[[4-(chloromethyl)phenyl]-ethyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 153283469
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
1,4-dichlorobenzene;sulfurochloridic acid
CID 19857624
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
triethylsilyl 4-chlorobenzenesulfonate
CID 87598403
4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide
CID 134992604
bis(4-chlorobenzenesulfonate);mercury(2+)
CID 22604664
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
(4-chlorophenyl)sulfonyl-methylazanide
CID 101403328
N-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43489004

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (CID 125424620) is N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is CC[S@](=O)(=NS(=O)(=O)Cl)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is IFTZAOHCJMCAPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C8H9Cl2NO3S2/c1-2-15(12,11-16(10,13)14)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/t15-/m1/s1.
What are the key properties of N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 302.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 125424620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).