4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid

C11H13NO7S2 — CID 43361376

IUPAC4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)C2CCS(=O)(=O)C2)cc1O
InChIInChI=1S/C11H13NO7S2/c13-10-5-7(1-2-9(10)11(14)15)12-21(18,19)8-3-4-20(16,17)6-8/h1-2,5,8,12-13H,3-4,6H2,(H,14,15)
InChIKeyQHCWSQTZUKWYBH-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.02
Rot. Bonds4

About 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid

4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 43361376) has the molecular formula C11H13NO7S2 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID43361376
Molecular FormulaC11H13NO7S2
Molecular Weight335.36 g/mol
Exact Mass335.01
IUPAC Name4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)C2CCS(=O)(=O)C2)cc1O
InChIInChI=1S/C11H13NO7S2/c13-10-5-7(1-2-9(10)11(14)15)12-21(18,19)8-3-4-20(16,17)6-8/h1-2,5,8,12-13H,3-4,6H2,(H,14,15)
InChIKeyQHCWSQTZUKWYBH-UHFFFAOYSA-N
XLogP0.02
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827654
N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443066
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103777911
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide
CID 63931452
2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
CID 62998220
2-[(1,1-dioxothian-4-yl)sulfonylamino]benzoic acid
CID 62084938
N-(3-aminophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62086003
(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 40548256

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid (CID 43361376) is 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NS(=O)(=O)C2CCS(=O)(=O)C2)cc1O.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is QHCWSQTZUKWYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO7S2/c13-10-5-7(1-2-9(10)11(14)15)12-21(18,19)8-3-4-20(16,17)6-8/h1-2,5,8,12-13H,3-4,6H2,(H,14,15).
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid?
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 335.36 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 43361376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).