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

C11H13NO3S3 — CID 71781697

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H13NO3S3/c1-8-4-6-17-11(8)9(13)7-12-18(14,15)10-3-2-5-16-10/h2-6,9,12-13H,7H2,1H3
InChIKeyYIXJPNWBWVVQHT-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.13
Rot. Bonds5

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

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71781697) has the molecular formula C11H13NO3S3 and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71781697
Molecular FormulaC11H13NO3S3
Molecular Weight303.43 g/mol
Exact Mass303.01
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H13NO3S3/c1-8-4-6-17-11(8)9(13)7-12-18(14,15)10-3-2-5-16-10/h2-6,9,12-13H,7H2,1H3
InChIKeyYIXJPNWBWVVQHT-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (CID 71781697) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is Cc1ccsc1C(O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YIXJPNWBWVVQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S3/c1-8-4-6-17-11(8)9(13)7-12-18(14,15)10-3-2-5-16-10/h2-6,9,12-13H,7H2,1H3.
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71781697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).