3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide

C6H10BrN5O4S — CID 106169161

IUPAC3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCC(O)C(N)=O
InChIInChI=1S/C6H10BrN5O4S/c1-12-6(4(7)10-11-12)17(15,16)9-2-3(13)5(8)14/h3,9,13H,2H2,1H3,(H2,8,14)
InChIKeyOWUODWULVLVQQX-UHFFFAOYSA-N
MW328.15 g/mol
LogP-2.30
Rot. Bonds5

About 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide

3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide (PubChem CID 106169161) has the molecular formula C6H10BrN5O4S and a molecular weight of 328.15 g/mol. Its IUPAC name is 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide
PubChem CID106169161
Molecular FormulaC6H10BrN5O4S
Molecular Weight328.15 g/mol
Exact Mass326.96
IUPAC Name3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide
SMILESCn1nnc(Br)c1S(=O)(=O)NCC(O)C(N)=O
InChIInChI=1S/C6H10BrN5O4S/c1-12-6(4(7)10-11-12)17(15,16)9-2-3(13)5(8)14/h3,9,13H,2H2,1H3,(H2,8,14)
InChIKeyOWUODWULVLVQQX-UHFFFAOYSA-N
XLogP-2.30
TPSA140.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide (CID 106169161) is 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide is Cn1nnc(Br)c1S(=O)(=O)NCC(O)C(N)=O.
What is the InChIKey of 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide?
The InChIKey is OWUODWULVLVQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN5O4S/c1-12-6(4(7)10-11-12)17(15,16)9-2-3(13)5(8)14/h3,9,13H,2H2,1H3,(H2,8,14).
What are the key properties of 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide?
3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide has a molecular weight of 328.15 g/mol, XLogP of -2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106169161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).