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

C8H9BrClNO3S2 — CID 165438024

IUPACN-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCCS(=O)(=NS(=O)(=O)Cl)c1ccc(Br)cc1
InChIInChI=1S/C8H9BrClNO3S2/c1-2-15(12,11-16(10,13)14)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKeyFECRXIXFPAMLKO-UHFFFAOYSA-N
MW346.66 g/mol
LogP2.78
Rot. Bonds3

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

N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 165438024) has the molecular formula C8H9BrClNO3S2 and a molecular weight of 346.66 g/mol. Its IUPAC name is N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID165438024
Molecular FormulaC8H9BrClNO3S2
Molecular Weight346.66 g/mol
Exact Mass344.89
IUPAC NameN-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCCS(=O)(=NS(=O)(=O)Cl)c1ccc(Br)cc1
InChIInChI=1S/C8H9BrClNO3S2/c1-2-15(12,11-16(10,13)14)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKeyFECRXIXFPAMLKO-UHFFFAOYSA-N
XLogP2.78
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 52.78
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 165437991
4-bromobenzenesulfonyl chloride
CID 174561770
(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane
CID 90045392
4-bromobenzenesulfonamide;ethane
CID 143929211
4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042475
barium(2+);bis(4-bromobenzenesulfonate)
CID 139842323
1-bromo-4-(2-methylpropylsulfonyl)benzene
CID 56776816
chloro 4-bromobenzenesulfonate
CID 118528589
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
(4-bromophenyl)sulfonylimino-dibutylphosphanium
CID 118474018
4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]benzenesulfonamide
CID 107868413
(4-bromophenyl)-imino-methyl-oxo-λ6-sulfane;(4-bromophenyl)-methyl-oxo-propylimino-λ6-sulfane;1-bromopropane
CID 158197003

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (CID 165438024) is N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is CCS(=O)(=NS(=O)(=O)Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is FECRXIXFPAMLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO3S2/c1-2-15(12,11-16(10,13)14)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3.
What are the key properties of N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 346.66 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 165438024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).