5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide

C12H10N4O4S — CID 112527860

IUPAC5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide
SMILESNc1nn(C(=O)c2ccc(S(N)(=O)=O)o2)c2ccccc12
InChIInChI=1S/C12H10N4O4S/c13-11-7-3-1-2-4-8(7)16(15-11)12(17)9-5-6-10(20-9)21(14,18)19/h1-6H,(H2,13,15)(H2,14,18,19)
InChIKeyBVRLYMNLTZXYCT-UHFFFAOYSA-N
MW306.30 g/mol
LogP0.55
Rot. Bonds2

About 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide

5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide (PubChem CID 112527860) has the molecular formula C12H10N4O4S and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide
PubChem CID112527860
Molecular FormulaC12H10N4O4S
Molecular Weight306.30 g/mol
Exact Mass306.04
IUPAC Name5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide
SMILESNc1nn(C(=O)c2ccc(S(N)(=O)=O)o2)c2ccccc12
InChIInChI=1S/C12H10N4O4S/c13-11-7-3-1-2-4-8(7)16(15-11)12(17)9-5-6-10(20-9)21(14,18)19/h1-6H,(H2,13,15)(H2,14,18,19)
InChIKeyBVRLYMNLTZXYCT-UHFFFAOYSA-N
XLogP0.55
TPSA134.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide?
The IUPAC name of 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide (CID 112527860) is 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide?
The canonical SMILES for 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide is Nc1nn(C(=O)c2ccc(S(N)(=O)=O)o2)c2ccccc12.
What is the InChIKey of 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide?
The InChIKey is BVRLYMNLTZXYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4S/c13-11-7-3-1-2-4-8(7)16(15-11)12(17)9-5-6-10(20-9)21(14,18)19/h1-6H,(H2,13,15)(H2,14,18,19).
What are the key properties of 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide?
5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide has a molecular weight of 306.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoindazole-1-carbonyl)furan-2-sulfonamide is sourced from PubChem (CID 112527860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).