5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide

C12H12ClNO3S2 — CID 69953907

IUPAC5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESC[C@@H](C1=CC=CC=C1O)NS(=O)(=O)C2=CC=C(S2)Cl
InChIInChI=1S/C12H12ClNO3S2/c1-8(9-4-2-3-5-10(9)15)14-19(16,17)12-7-6-11(13)18-12/h2-8,14-15H,1H3/t8-/m0/s1
InChIKeyRPLCAOXAZBDQHE-QMMMGPOBSA-N
MW317.80 g/mol
LogP4.00
Rot. Bonds4

About 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 69953907) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID69953907
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.80 g/mol
Exact Mass316.99
IUPAC Name5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESC[C@@H](C1=CC=CC=C1O)NS(=O)(=O)C2=CC=C(S2)Cl
InChIInChI=1S/C12H12ClNO3S2/c1-8(9-4-2-3-5-10(9)15)14-19(16,17)12-7-6-11(13)18-12/h2-8,14-15H,1H3/t8-/m0/s1
InChIKeyRPLCAOXAZBDQHE-QMMMGPOBSA-N
XLogP4.00
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity398

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide (CID 69953907) is 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide is C[C@@H](C1=CC=CC=C1O)NS(=O)(=O)C2=CC=C(S2)Cl.
What is the InChIKey of 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is RPLCAOXAZBDQHE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c1-8(9-4-2-3-5-10(9)15)14-19(16,17)12-7-6-11(13)18-12/h2-8,14-15H,1H3/t8-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 317.80 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 69953907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).