N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide

C14H17NO3S2 — CID 61221447

IUPACN-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(CCO)cc2)c(C)s1
InChIInChI=1S/C14H17NO3S2/c1-10-9-14(11(2)19-10)20(17,18)15-13-5-3-12(4-6-13)7-8-16/h3-6,9,15-16H,7-8H2,1-2H3
InChIKeyPTKFVIJKFWRWGW-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.70
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide

N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 61221447) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID61221447
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(CCO)cc2)c(C)s1
InChIInChI=1S/C14H17NO3S2/c1-10-9-14(11(2)19-10)20(17,18)15-13-5-3-12(4-6-13)7-8-16/h3-6,9,15-16H,7-8H2,1-2H3
InChIKeyPTKFVIJKFWRWGW-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 42545354
5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide
CID 106026493
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847443
N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide
CID 32684135
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 43501825
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 61221276
2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
CID 39837092

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide (CID 61221447) is N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(CCO)cc2)c(C)s1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is PTKFVIJKFWRWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-10-9-14(11(2)19-10)20(17,18)15-13-5-3-12(4-6-13)7-8-16/h3-6,9,15-16H,7-8H2,1-2H3.
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide?
N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 61221447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).