2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride

C8H6Cl3NO5S2 — CID 91622942

IUPAC2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride
SMILESCC(=O)Nc1cc(S(=O)(=O)Cl)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H6Cl3NO5S2/c1-4(13)12-6-3-7(18(10,14)15)5(9)2-8(6)19(11,16)17/h2-3H,1H3,(H,12,13)
InChIKeyLGGGFUCBLCTJJG-UHFFFAOYSA-N
MW366.63 g/mol
LogP2.15
Rot. Bonds3

About 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride

2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride (PubChem CID 91622942) has the molecular formula C8H6Cl3NO5S2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride.

Molecular Properties

Compound Name2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride
PubChem CID91622942
Molecular FormulaC8H6Cl3NO5S2
Molecular Weight366.63 g/mol
Exact Mass364.88
IUPAC Name2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride
SMILESCC(=O)Nc1cc(S(=O)(=O)Cl)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H6Cl3NO5S2/c1-4(13)12-6-3-7(18(10,14)15)5(9)2-8(6)19(11,16)17/h2-3H,1H3,(H,12,13)
InChIKeyLGGGFUCBLCTJJG-UHFFFAOYSA-N
XLogP2.15
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.63
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
4-acetamido-6-nitrobenzene-1,3-disulfonyl chloride
CID 163601250
5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride
CID 13488965
5-acetamido-2-amino-4-chlorobenzenesulfonic acid
CID 23374009
N-(5-chloro-2-methylsulfonylphenyl)acetamide
CID 67747671
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 50876397
N-[4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 75486283
N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
CID 71418116
2,3,5-trichloro-4-methylbenzenesulfonyl chloride
CID 13491222
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride
CID 119960027

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride?
The IUPAC name of 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride (CID 91622942) is 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride.
What is the SMILES notation for 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride?
The canonical SMILES for 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride is CC(=O)Nc1cc(S(=O)(=O)Cl)c(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride?
The InChIKey is LGGGFUCBLCTJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO5S2/c1-4(13)12-6-3-7(18(10,14)15)5(9)2-8(6)19(11,16)17/h2-3H,1H3,(H,12,13).
What are the key properties of 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride?
2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride has a molecular weight of 366.63 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride is sourced from PubChem (CID 91622942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).