N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide

C12H17NO5S2 — CID 43507358

IUPACN-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C12H17NO5S2/c1-9(14)10-3-2-4-12(7-10)20(17,18)13-11-5-6-19(15,16)8-11/h2-4,7,9,11,13-14H,5-6,8H2,1H3
InChIKeyIIKIIKHQAMFGAI-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.21
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 43507358) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
PubChem CID43507358
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C12H17NO5S2/c1-9(14)10-3-2-4-12(7-10)20(17,18)13-11-5-6-19(15,16)8-11/h2-4,7,9,11,13-14H,5-6,8H2,1H3
InChIKeyIIKIIKHQAMFGAI-UHFFFAOYSA-N
XLogP0.21
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 64922458
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
CID 2810894
N-(1,1-dioxothiolan-3-yl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
CID 75524521
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43017144
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide (CID 43507358) is N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is IIKIIKHQAMFGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-9(14)10-3-2-4-12(7-10)20(17,18)13-11-5-6-19(15,16)8-11/h2-4,7,9,11,13-14H,5-6,8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 319.40 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43507358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).