2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene

C17H13FNO2S2- — CID 91182680

IUPAC2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene
SMILESCc1ccccc1N(c1csc(-c2cccc(F)c2)c1)S(=O)[O-]
InChIInChI=1S/C17H14FNO2S2/c1-12-5-2-3-8-16(12)19(23(20)21)15-10-17(22-11-15)13-6-4-7-14(18)9-13/h2-11H,1H3,(H,20,21)/p-1
InChIKeyNGPXNKXXZDSUFH-UHFFFAOYSA-M
MW346.43 g/mol
LogP4.79
Rot. Bonds4

About 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene

2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene (PubChem CID 91182680) has the molecular formula C17H13FNO2S2- and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene
PubChem CID91182680
Molecular FormulaC17H13FNO2S2-
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene
SMILESCc1ccccc1N(c1csc(-c2cccc(F)c2)c1)S(=O)[O-]
InChIInChI=1S/C17H14FNO2S2/c1-12-5-2-3-8-16(12)19(23(20)21)15-10-17(22-11-15)13-6-4-7-14(18)9-13/h2-11H,1H3,(H,20,21)/p-1
InChIKeyNGPXNKXXZDSUFH-UHFFFAOYSA-M
XLogP4.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)-4-(2-methyl-N-sulfinoanilino)thiophene
CID 91803018
2-(4-fluorophenyl)-4-(4-methyl-N-sulfinoanilino)thiophene
CID 91217146
5-(3-aminophenyl)-2-carboxy-3-(2-methyl-N-sulfinatoanilino)thiophene
CID 67298972
5-chloro-2-[4-(2-methyl-N-sulfinoanilino)thiophen-2-yl]pyridine
CID 90971757
N,2-dimethyl-N-(5-phenylthiophen-3-yl)benzamide
CID 67299056
1-[2-(hydroxymethyl)-N-sulfinatoanilino]-2-methylbenzene
CID 91237138
2-(3-fluorophenyl)thiophene
CID 22486407
N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide
CID 67299098
2-carboxy-5-(4-fluorophenyl)-3-(4-methyl-N-sulfinatoanilino)thiophene
CID 67299149
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
2-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-4-[3-(2,4-difluoro-N-sulfinatoanilino)phenyl]-1,3-thiazole
CID 57014902
5-(3-aminophenyl)-3-(2-methyl-N-sulfinoanilino)thiophene-2-carboxylic acid
CID 67298973

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene?
The IUPAC name of 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene (CID 91182680) is 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene?
The canonical SMILES for 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene is Cc1ccccc1N(c1csc(-c2cccc(F)c2)c1)S(=O)[O-].
What is the InChIKey of 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene?
The InChIKey is NGPXNKXXZDSUFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14FNO2S2/c1-12-5-2-3-8-16(12)19(23(20)21)15-10-17(22-11-15)13-6-4-7-14(18)9-13/h2-11H,1H3,(H,20,21)/p-1.
What are the key properties of 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene?
2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene has a molecular weight of 346.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(2-methyl-N-sulfinatoanilino)thiophene is sourced from PubChem (CID 91182680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).