N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride

C7H6Cl3NO3S2 — CID 125424579

IUPACN-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESC[S@@](=O)(=NS(=O)(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl3NO3S2/c1-15(12,11-16(10,13)14)7-3-2-5(8)4-6(7)9/h2-4H,1H3/t15-/m0/s1
InChIKeyDZHWSCQZRVYTIT-HNNXBMFYSA-N
MW322.62 g/mol
LogP2.93
Rot. Bonds2

About N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride

N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 125424579) has the molecular formula C7H6Cl3NO3S2 and a molecular weight of 322.62 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID125424579
Molecular FormulaC7H6Cl3NO3S2
Molecular Weight322.62 g/mol
Exact Mass320.89
IUPAC NameN-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESC[S@@](=O)(=NS(=O)(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl3NO3S2/c1-15(12,11-16(10,13)14)7-3-2-5(8)4-6(7)9/h2-4H,1H3/t15-/m0/s1
InChIKeyDZHWSCQZRVYTIT-HNNXBMFYSA-N
XLogP2.93
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.62
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 125424590
N-[(3-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 165437984
2,4-dichloro-1-propan-2-ylsulfonylbenzene
CID 22953661
sodium;2,4-dichlorobenzenesulfonic acid;hydride
CID 173175851
carbanide;(2,4-dichlorophenyl)sulfonyl-methylazanide;yttrium
CID 58436491
sulfuryl dichloride;1,2,4-trichlorobenzene
CID 77134549
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole
CID 59823147
2-bromo-4-chloro-1-methylsulfonylbenzene
CID 75487839
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane
CID 125454990
2-(2,4-dichlorophenyl)sulfonyl-N'-hydroxyethanimidamide
CID 75176683

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride (CID 125424579) is N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is C[S@@](=O)(=NS(=O)(=O)Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is DZHWSCQZRVYTIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C7H6Cl3NO3S2/c1-15(12,11-16(10,13)14)7-3-2-5(8)4-6(7)9/h2-4H,1H3/t15-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride?
N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 322.62 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 125424579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).