N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide

C12H13NO3S2 — CID 1263106

IUPACN-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)s1
InChIInChI=1S/C12H13NO3S2/c1-8-6-12(9(2)17-8)18(15,16)13-10-4-3-5-11(14)7-10/h3-7,13-14H,1-2H3
InChIKeyUITRGYSMQPNGIY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.87
Rot. Bonds3

About N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide

N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 1263106) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID1263106
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC NameN-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)s1
InChIInChI=1S/C12H13NO3S2/c1-8-6-12(9(2)17-8)18(15,16)13-10-4-3-5-11(14)7-10/h3-7,13-14H,1-2H3
InChIKeyUITRGYSMQPNGIY-UHFFFAOYSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide (CID 1263106) is N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)s1.
What is the InChIKey of N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is UITRGYSMQPNGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-8-6-12(9(2)17-8)18(15,16)13-10-4-3-5-11(14)7-10/h3-7,13-14H,1-2H3.
What are the key properties of N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 283.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 1263106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).