N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide

C10H12N2O3S2 — CID 114188652

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1cc[nH]c1
InChIInChI=1S/C10H12N2O3S2/c13-10(8-2-4-16-7-8)6-12-17(14,15)9-1-3-11-5-9/h1-5,7,10-13H,6H2
InChIKeyZGHKSOFHHGBLKG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.09
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 114188652) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
PubChem CID114188652
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1cc[nH]c1
InChIInChI=1S/C10H12N2O3S2/c13-10(8-2-4-16-7-8)6-12-17(14,15)9-1-3-11-5-9/h1-5,7,10-13H,6H2
InChIKeyZGHKSOFHHGBLKG-UHFFFAOYSA-N
XLogP1.09
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 106434424
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide
CID 106436200
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 75477657
N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-3-sulfonamide
CID 106288400
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide
CID 103916531

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide (CID 114188652) is N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide is O=S(=O)(NCC(O)c1ccsc1)c1cc[nH]c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is ZGHKSOFHHGBLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c13-10(8-2-4-16-7-8)6-12-17(14,15)9-1-3-11-5-9/h1-5,7,10-13H,6H2.
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114188652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).