5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide

C10H13N3O4S — CID 106218370

IUPAC5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CO)o1)c1cn[nH]c1
InChIInChI=1S/C10H13N3O4S/c1-7(8-4-11-12-5-8)13-18(15,16)10-3-2-9(6-14)17-10/h2-5,7,13-14H,6H2,1H3,(H,11,12)
InChIKeyXZHBAPVVBJNVCN-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.53
Rot. Bonds5

About 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide

5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide (PubChem CID 106218370) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
PubChem CID106218370
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CO)o1)c1cn[nH]c1
InChIInChI=1S/C10H13N3O4S/c1-7(8-4-11-12-5-8)13-18(15,16)10-3-2-9(6-14)17-10/h2-5,7,13-14H,6H2,1H3,(H,11,12)
InChIKeyXZHBAPVVBJNVCN-UHFFFAOYSA-N
XLogP0.53
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218501
5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218355
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 83178330
2-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217870
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693
3-amino-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208367
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
3-(aminomethyl)-2,4-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218593
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854212

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide (CID 106218370) is 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide is CC(NS(=O)(=O)c1ccc(CO)o1)c1cn[nH]c1.
What is the InChIKey of 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide?
The InChIKey is XZHBAPVVBJNVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-7(8-4-11-12-5-8)13-18(15,16)10-3-2-9(6-14)17-10/h2-5,7,13-14H,6H2,1H3,(H,11,12).
What are the key properties of 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide?
5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide has a molecular weight of 271.30 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 106218370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).