2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene

C17H15NO3S2 — CID 91803018

IUPAC2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene
SMILESCc1ccccc1N(c1csc(-c2ccccc2O)c1)S(=O)O
InChIInChI=1S/C17H15NO3S2/c1-12-6-2-4-8-15(12)18(23(20)21)13-10-17(22-11-13)14-7-3-5-9-16(14)19/h2-11,19H,1H3,(H,20,21)
InChIKeyWUVQOOHCHYRDDB-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.70
Rot. Bonds4

About 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene

2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene (PubChem CID 91803018) has the molecular formula C17H15NO3S2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene
PubChem CID91803018
Molecular FormulaC17H15NO3S2
Molecular Weight345.44 g/mol
Exact Mass345.05
IUPAC Name2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene
SMILESCc1ccccc1N(c1csc(-c2ccccc2O)c1)S(=O)O
InChIInChI=1S/C17H15NO3S2/c1-12-6-2-4-8-15(12)18(23(20)21)13-10-17(22-11-13)14-7-3-5-9-16(14)19/h2-11,19H,1H3,(H,20,21)
InChIKeyWUVQOOHCHYRDDB-UHFFFAOYSA-N
XLogP4.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene 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

5-chloro-2-[4-(2-methyl-N-sulfinoanilino)thiophen-2-yl]pyridine
CID 90971757
2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene
CID 91182680
5-(2-methoxyphenyl)-3-(2-methyl-N-sulfinoanilino)thiophene-2-carboxylic acid
CID 67299390
5-(4-methylphenyl)-3-(2-methyl-N-sulfinoanilino)thiophene-2-carboxylic acid
CID 67299196
5-(4-carboxyphenyl)-3-(2-methyl-N-sulfinoanilino)thiophene-2-carboxylic acid
CID 67298985
5-(2,5-dichlorophenyl)-3-(2-methyl-N-sulfinoanilino)thiophene-2-carboxylic acid
CID 67415112
5-(3-aminophenyl)-3-(2-methyl-N-sulfinoanilino)thiophene-2-carboxylic acid
CID 67298973
3-(2-methyl-N-sulfinoanilino)-5-(4-nitrophenyl)thiophene-2-carboxylic acid
CID 67298970
5-[4-(methanesulfonamido)phenyl]-3-(2-methyl-N-sulfinoanilino)thiophene-2-carboxylic acid
CID 67298982
N,2-dimethyl-N-(5-phenylthiophen-3-yl)benzamide
CID 67299056
(2E)-2-[[5-(2-hydroxyphenyl)-2-methylphenyl]-(4-methylsulfinylphenyl)hydrazinylidene]propanamide
CID 142237557
1-[2-(hydroxymethyl)-N-sulfinatoanilino]-2-methylbenzene
CID 91237138

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene?
The IUPAC name of 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene (CID 91803018) is 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene.
What is the SMILES notation for 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene?
The canonical SMILES for 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene is Cc1ccccc1N(c1csc(-c2ccccc2O)c1)S(=O)O.
What is the InChIKey of 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene?
The InChIKey is WUVQOOHCHYRDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S2/c1-12-6-2-4-8-15(12)18(23(20)21)13-10-17(22-11-13)14-7-3-5-9-16(14)19/h2-11,19H,1H3,(H,20,21).
What are the key properties of 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene?
2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene has a molecular weight of 345.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene is sourced from PubChem (CID 91803018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).