5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

C11H12ClNO3S3 — CID 95367031

IUPAC5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccsc1[C@@H](O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNO3S3/c1-7-4-5-17-11(7)8(14)6-13-19(15,16)10-3-2-9(12)18-10/h2-5,8,13-14H,6H2,1H3/t8-/m0/s1
InChIKeyPCQXGOLHHGRNOO-QMMMGPOBSA-N
MW337.88 g/mol
LogP2.78
Rot. Bonds5

About 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 95367031) has the molecular formula C11H12ClNO3S3 and a molecular weight of 337.88 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID95367031
Molecular FormulaC11H12ClNO3S3
Molecular Weight337.88 g/mol
Exact Mass336.97
IUPAC Name5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccsc1[C@@H](O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNO3S3/c1-7-4-5-17-11(7)8(14)6-13-19(15,16)10-3-2-9(12)18-10/h2-5,8,13-14H,6H2,1H3/t8-/m0/s1
InChIKeyPCQXGOLHHGRNOO-QMMMGPOBSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(2-hydroxy-2-phenylethyl)-3-thiophenesulfonamide
CID 2812772
3-chloro-4-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 52992633
2-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzenesulfonamide
CID 71782491
1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 56764052
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)thiophene-2-sulfonamide
CID 71781697
5-chloro-N-[2-hydroxy-2-(thiophen-2-yl)propyl]thiophene-2-sulfonamide
CID 71782471
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide
CID 97071633
5-chloro-N-[(2S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
CID 66929955
5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
CID 66929956
5-chloro-N-[(2S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
CID 66929959
3-chloro-4-fluoro-N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 52416862
3-chloro-4-fluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 52416863

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (CID 95367031) is 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PCQXGOLHHGRNOO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12ClNO3S3/c1-7-4-5-17-11(7)8(14)6-13-19(15,16)10-3-2-9(12)18-10/h2-5,8,13-14H,6H2,1H3/t8-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 337.88 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 95367031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).