4-acetamidobenzenesulfonyl chloride

C8H8ClNO3S — CID 8481

IUPAC4-acetamidobenzenesulfonyl chloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKeyGRDXCFKBQWDAJH-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.57
Rot. Bonds2

About 4-acetamidobenzenesulfonyl chloride

4-acetamidobenzenesulfonyl chloride (PubChem CID 8481) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is 4-acetamidobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-acetamidobenzenesulfonyl chloride
PubChem CID8481
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name4-acetamidobenzenesulfonyl chloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKeyGRDXCFKBQWDAJH-UHFFFAOYSA-N
XLogP1.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfacetamide
CID 5320
N4-Acetylsulfanilamide
CID 8482
Acedapsone
CID 6477
Monoacetyldapsone
CID 11257
Sodium Sulfacetamide
CID 4022878
Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Sodium diphenylamine-4-sulfonate
CID 517002
4'-Mercaptoacetanilide
CID 70777
Benzenesulfonic acid, 4-(acetylamino)-2-amino-
CID 6939
Benzenesulfonic acid, 5-(acetylamino)-2-amino-
CID 66788
Potassium 4-acetoacetylaminobenzenesulphonate
CID 23674215
Carbasulam
CID 15679

Frequently Asked Questions

What is the IUPAC name of 4-acetamidobenzenesulfonyl chloride?
The IUPAC name of 4-acetamidobenzenesulfonyl chloride (CID 8481) is 4-acetamidobenzenesulfonyl chloride.
What is the SMILES notation for 4-acetamidobenzenesulfonyl chloride?
The canonical SMILES for 4-acetamidobenzenesulfonyl chloride is CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-acetamidobenzenesulfonyl chloride?
The InChIKey is GRDXCFKBQWDAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11).
What are the key properties of 4-acetamidobenzenesulfonyl chloride?
4-acetamidobenzenesulfonyl chloride has a molecular weight of 233.68 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamidobenzenesulfonyl chloride is sourced from PubChem (CID 8481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).