5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide

C10H13N3O3S2 — CID 114135147

IUPAC5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1ccc(CCO)s1
InChIInChI=1S/C10H13N3O3S2/c14-6-3-8-1-2-10(17-8)18(15,16)13-7-9-11-4-5-12-9/h1-2,4-5,13-14H,3,6-7H2,(H,11,12)
InChIKeyVHBVFPRDJPCKNG-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.48
Rot. Bonds6

About 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide

5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 114135147) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID114135147
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1ccc(CCO)s1
InChIInChI=1S/C10H13N3O3S2/c14-6-3-8-1-2-10(17-8)18(15,16)13-7-9-11-4-5-12-9/h1-2,4-5,13-14H,3,6-7H2,(H,11,12)
InChIKeyVHBVFPRDJPCKNG-UHFFFAOYSA-N
XLogP0.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
CID 64548410
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 114135529
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64529323
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64531136
2-(1H-imidazol-2-yl)ethanol
CID 15016080
5-[2-(propan-2-ylamino)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013449
2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114136202
2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069257
3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64531330

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide (CID 114135147) is 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ncc[nH]1)c1ccc(CCO)s1.
What is the InChIKey of 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is VHBVFPRDJPCKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c14-6-3-8-1-2-10(17-8)18(15,16)13-7-9-11-4-5-12-9/h1-2,4-5,13-14H,3,6-7H2,(H,11,12).
What are the key properties of 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide?
5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114135147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).