3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid

C11H11BrN4O4S — CID 43513657

IUPAC3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2ccc(Br)cn2)cn1
InChIInChI=1S/C11H11BrN4O4S/c12-8-1-2-10(13-5-8)15-21(19,20)9-6-14-16(7-9)4-3-11(17)18/h1-2,5-7H,3-4H2,(H,13,15)(H,17,18)
InChIKeyGVCNVTJDJLEQSM-UHFFFAOYSA-N
MW375.20 g/mol
LogP1.32
Rot. Bonds6

About 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43513657) has the molecular formula C11H11BrN4O4S and a molecular weight of 375.20 g/mol. Its IUPAC name is 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43513657
Molecular FormulaC11H11BrN4O4S
Molecular Weight375.20 g/mol
Exact Mass373.97
IUPAC Name3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2ccc(Br)cn2)cn1
InChIInChI=1S/C11H11BrN4O4S/c12-8-1-2-10(13-5-8)15-21(19,20)9-6-14-16(7-9)4-3-11(17)18/h1-2,5-7H,3-4H2,(H,13,15)(H,17,18)
InChIKeyGVCNVTJDJLEQSM-UHFFFAOYSA-N
XLogP1.32
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513637
1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide
CID 106020893
3-[4-(pyrazin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43616118
3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513624
3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513480
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513639
3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216274
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43513657) is 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)Nc2ccc(Br)cn2)cn1.
What is the InChIKey of 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is GVCNVTJDJLEQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O4S/c12-8-1-2-10(13-5-8)15-21(19,20)9-6-14-16(7-9)4-3-11(17)18/h1-2,5-7H,3-4H2,(H,13,15)(H,17,18).
What are the key properties of 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 375.20 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).