4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid

C10H10BrN3O4S2 — CID 60785742

IUPAC4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)Nc2ncc(Br)s2)cc1C(=O)O
InChIInChI=1S/C10H10BrN3O4S2/c1-2-14-5-6(3-7(14)9(15)16)20(17,18)13-10-12-4-8(11)19-10/h3-5H,2H2,1H3,(H,12,13)(H,15,16)
InChIKeyZOKZCMVZXNIDCJ-UHFFFAOYSA-N
MW380.25 g/mol
LogP2.23
Rot. Bonds5

About 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid

4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid (PubChem CID 60785742) has the molecular formula C10H10BrN3O4S2 and a molecular weight of 380.25 g/mol. Its IUPAC name is 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
PubChem CID60785742
Molecular FormulaC10H10BrN3O4S2
Molecular Weight380.25 g/mol
Exact Mass378.93
IUPAC Name4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)Nc2ncc(Br)s2)cc1C(=O)O
InChIInChI=1S/C10H10BrN3O4S2/c1-2-14-5-6(3-7(14)9(15)16)20(17,18)13-10-12-4-8(11)19-10/h3-5H,2H2,1H3,(H,12,13)(H,15,16)
InChIKeyZOKZCMVZXNIDCJ-UHFFFAOYSA-N
XLogP2.23
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644624
1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074
1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
1-ethyl-4-(2,2,2-trifluoroethoxysulfamoyl)pyrrole-2-carboxylic acid
CID 82706668
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644640

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid (CID 60785742) is 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)Nc2ncc(Br)s2)cc1C(=O)O.
What is the InChIKey of 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is ZOKZCMVZXNIDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O4S2/c1-2-14-5-6(3-7(14)9(15)16)20(17,18)13-10-12-4-8(11)19-10/h3-5H,2H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 380.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 60785742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).