N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide

C11H14N2O3S2 — CID 71781610

IUPACN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cccc1C(O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H14N2O3S2/c1-13-6-2-4-9(13)10(14)8-12-18(15,16)11-5-3-7-17-11/h2-7,10,12,14H,8H2,1H3
InChIKeySABDGHLTSXZQFW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.10
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71781610) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71781610
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cccc1C(O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H14N2O3S2/c1-13-6-2-4-9(13)10(14)8-12-18(15,16)11-5-3-7-17-11/h2-7,10,12,14H,8H2,1H3
InChIKeySABDGHLTSXZQFW-UHFFFAOYSA-N
XLogP1.10
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71781613
CID 71781613
CID 95982536
CID 95982536
CID 99998090
CID 99998090
CID 71781634
CID 71781634
CID 86266768
CID 86266768
CID 99997680
CID 99997680
CID 86781543
CID 86781543
CID 99997672
CID 99997672
CID 140917779
CID 140917779
CID 90496290
CID 90496290
CID 90496291
CID 90496291
CID 90496306
CID 90496306

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide (CID 71781610) is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide is Cn1cccc1C(O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is SABDGHLTSXZQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-13-6-2-4-9(13)10(14)8-12-18(15,16)11-5-3-7-17-11/h2-7,10,12,14H,8H2,1H3.
What are the key properties of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide?
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.10, 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-(1-methylpyrrol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71781610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).