5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide

C8H11N5O3S — CID 114137289

IUPAC5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2ncn[nH]2)o1
InChIInChI=1S/C8H11N5O3S/c9-3-6-1-2-8(16-6)17(14,15)12-4-7-10-5-11-13-7/h1-2,5,12H,3-4,9H2,(H,10,11,13)
InChIKeyXDKSLCFUJSLCGQ-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.67
Rot. Bonds5

About 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide

5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide (PubChem CID 114137289) has the molecular formula C8H11N5O3S and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide
PubChem CID114137289
Molecular FormulaC8H11N5O3S
Molecular Weight257.27 g/mol
Exact Mass257.06
IUPAC Name5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2ncn[nH]2)o1
InChIInChI=1S/C8H11N5O3S/c9-3-6-1-2-8(16-6)17(14,15)12-4-7-10-5-11-13-7/h1-2,5,12H,3-4,9H2,(H,10,11,13)
InChIKeyXDKSLCFUJSLCGQ-UHFFFAOYSA-N
XLogP-0.67
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylaminomethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-sulfonamide
CID 106068159
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-sulfonamide
CID 106085204
1-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 63666633
2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61113449
2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 81245663
4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide
CID 54883543
5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
CID 114112494
2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
CID 106013304
5-(aminomethyl)-1-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-3-sulfonamide
CID 106013409
5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106067984
2-amino-4-cyano-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64897423
3-amino-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61111745

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide (CID 114137289) is 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide is NCc1ccc(S(=O)(=O)NCc2ncn[nH]2)o1.
What is the InChIKey of 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide?
The InChIKey is XDKSLCFUJSLCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3S/c9-3-6-1-2-8(16-6)17(14,15)12-4-7-10-5-11-13-7/h1-2,5,12H,3-4,9H2,(H,10,11,13).
What are the key properties of 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide?
5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide has a molecular weight of 257.27 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide is sourced from PubChem (CID 114137289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).