2-carbamoylbenzenesulfonyl chloride

C7H6ClNO3S — CID 16792990

IUPAC2-carbamoylbenzenesulfonyl chloride
SMILESNC(=O)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClNO3S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKeyAFMYXEGROVYATK-UHFFFAOYSA-N
MW219.65 g/mol
LogP0.71
Rot. Bonds2

About 2-carbamoylbenzenesulfonyl chloride

2-carbamoylbenzenesulfonyl chloride (PubChem CID 16792990) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is 2-carbamoylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-carbamoylbenzenesulfonyl chloride
PubChem CID16792990
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Name2-carbamoylbenzenesulfonyl chloride
SMILESNC(=O)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClNO3S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKeyAFMYXEGROVYATK-UHFFFAOYSA-N
XLogP0.71
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Saccharin
CID 5143
1,2-Benzisothiazol-3(2H)-one
CID 17520
Sodium saccharin
CID 656582
Benzamide, 2,2'-dithiobis-
CID 72552
7-Methylsaccharin
CID 19011298
Sodium saccharin dihydrate
CID 517320
4-(Hydrazinecarbonyl)benzenesulfonamide
CID 318174
4-(Aminosulfonyl)benzamide
CID 80563
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
CID 443755
CID 66584623
CID 66584623
Benzamide, N-((4-methylphenyl)sulfonyl)-
CID 81439
2-(Hydrazinecarbonyl)benzenesulfonamide
CID 2490720

Frequently Asked Questions

What is the IUPAC name of 2-carbamoylbenzenesulfonyl chloride?
The IUPAC name of 2-carbamoylbenzenesulfonyl chloride (CID 16792990) is 2-carbamoylbenzenesulfonyl chloride.
What is the SMILES notation for 2-carbamoylbenzenesulfonyl chloride?
The canonical SMILES for 2-carbamoylbenzenesulfonyl chloride is NC(=O)c1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-carbamoylbenzenesulfonyl chloride?
The InChIKey is AFMYXEGROVYATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10).
What are the key properties of 2-carbamoylbenzenesulfonyl chloride?
2-carbamoylbenzenesulfonyl chloride has a molecular weight of 219.65 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylbenzenesulfonyl chloride is sourced from PubChem (CID 16792990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).