4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide

C12H14N2O3S2 — CID 70357631

IUPAC4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1csc(S(N)(=O)=O)c1)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O3S2/c1-14(10-2-4-11(15)5-3-10)7-9-6-12(18-8-9)19(13,16)17/h2-6,8,15H,7H2,1H3,(H2,13,16,17)
InChIKeyYGLGMYCQSVSKBC-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.74
Rot. Bonds4

About 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide

4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide (PubChem CID 70357631) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide
PubChem CID70357631
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1csc(S(N)(=O)=O)c1)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O3S2/c1-14(10-2-4-11(15)5-3-10)7-9-6-12(18-8-9)19(13,16)17/h2-6,8,15H,7H2,1H3,(H2,13,16,17)
InChIKeyYGLGMYCQSVSKBC-UHFFFAOYSA-N
XLogP1.74
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide (CID 70357631) is 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide is CN(Cc1csc(S(N)(=O)=O)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide?
The InChIKey is YGLGMYCQSVSKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-14(10-2-4-11(15)5-3-10)7-9-6-12(18-8-9)19(13,16)17/h2-6,8,15H,7H2,1H3,(H2,13,16,17).
What are the key properties of 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide?
4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 70357631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).