(2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid

C11H11BrN4O4S — CID 106465765

IUPAC(2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
SMILESCn1nnc(Br)c1S(=O)(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H11BrN4O4S/c1-16-10(9(12)13-15-16)21(19,20)14-8(11(17)18)7-5-3-2-4-6-7/h2-6,8,14H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyFPBCQPGMCGNMCJ-MRVPVSSYSA-N
MW375.20 g/mol
LogP0.68
Rot. Bonds5

About (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid

(2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid (PubChem CID 106465765) has the molecular formula C11H11BrN4O4S and a molecular weight of 375.20 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
PubChem CID106465765
Molecular FormulaC11H11BrN4O4S
Molecular Weight375.20 g/mol
Exact Mass373.97
IUPAC Name(2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
SMILESCn1nnc(Br)c1S(=O)(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H11BrN4O4S/c1-16-10(9(12)13-15-16)21(19,20)14-8(11(17)18)7-5-3-2-4-6-7/h2-6,8,14H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyFPBCQPGMCGNMCJ-MRVPVSSYSA-N
XLogP0.68
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid (CID 106465765) is (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid is Cn1nnc(Br)c1S(=O)(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is FPBCQPGMCGNMCJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11BrN4O4S/c1-16-10(9(12)13-15-16)21(19,20)14-8(11(17)18)7-5-3-2-4-6-7/h2-6,8,14H,1H3,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid?
(2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 375.20 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 106465765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).