N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide

C13H15NO3S2 — CID 106011763

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccccc2O)s1
InChIInChI=1S/C13H15NO3S2/c1-2-10-7-8-11(18-10)9-14-19(16,17)13-6-4-3-5-12(13)15/h3-8,14-15H,2,9H2,1H3
InChIKeyHLGJAJLNAOQYPA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.49
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide

N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide (PubChem CID 106011763) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
PubChem CID106011763
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccccc2O)s1
InChIInChI=1S/C13H15NO3S2/c1-2-10-7-8-11(18-10)9-14-19(16,17)13-6-4-3-5-12(13)15/h3-8,14-15H,2,9H2,1H3
InChIKeyHLGJAJLNAOQYPA-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106094652
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006764
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 106015015
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106006763
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
5-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006837

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide (CID 106011763) is N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccccc2O)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide?
The InChIKey is HLGJAJLNAOQYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-2-10-7-8-11(18-10)9-14-19(16,17)13-6-4-3-5-12(13)15/h3-8,14-15H,2,9H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 106011763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).