N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide

C10H13NO5S2 — CID 43827654

IUPACN-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(O)cc2)C1
InChIInChI=1S/C10H13NO5S2/c12-9-3-1-8(2-4-9)11-18(15,16)10-5-6-17(13,14)7-10/h1-4,10-12H,5-7H2
InChIKeyJUQDRHPNKHZRSB-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.32
Rot. Bonds3

About N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide

N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 43827654) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID43827654
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC NameN-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(O)cc2)C1
InChIInChI=1S/C10H13NO5S2/c12-9-3-1-8(2-4-9)11-18(15,16)10-5-6-17(13,14)7-10/h1-4,10-12H,5-7H2
InChIKeyJUQDRHPNKHZRSB-UHFFFAOYSA-N
XLogP0.32
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 43361376
N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103777911
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 20995143
4-[(1,1-dioxothian-4-yl)sulfonylamino]benzenecarbothioamide
CID 62086198
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide
CID 63931452
(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 40548256
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443066
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103098191
N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 123858661
N-(4-chloropyrimidin-2-yl)-1,1-dioxothiolane-3-sulfonamide
CID 114052602

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide (CID 43827654) is N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccc(O)cc2)C1.
What is the InChIKey of N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is JUQDRHPNKHZRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c12-9-3-1-8(2-4-9)11-18(15,16)10-5-6-17(13,14)7-10/h1-4,10-12H,5-7H2.
What are the key properties of N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide?
N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 291.35 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 43827654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).