5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide

C9H7BrN4O2S2 — CID 79503202

IUPAC5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide
SMILESCn1ncc(C#N)c1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H7BrN4O2S2/c1-14-9(6(4-11)5-12-14)13-18(15,16)8-3-2-7(10)17-8/h2-3,5,13H,1H3
InChIKeyNCMBKFKUQYMRHP-UHFFFAOYSA-N
MW347.22 g/mol
LogP1.92
Rot. Bonds3

About 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide

5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide (PubChem CID 79503202) has the molecular formula C9H7BrN4O2S2 and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide
PubChem CID79503202
Molecular FormulaC9H7BrN4O2S2
Molecular Weight347.22 g/mol
Exact Mass345.92
IUPAC Name5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide
SMILESCn1ncc(C#N)c1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H7BrN4O2S2/c1-14-9(6(4-11)5-12-14)13-18(15,16)8-3-2-7(10)17-8/h2-3,5,13H,1H3
InChIKeyNCMBKFKUQYMRHP-UHFFFAOYSA-N
XLogP1.92
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dibromo-N-(4-cyano-1-methylpyrazol-5-yl)-4-methylbenzenesulfonamide
CID 81320259
N-(4-cyano-1-methylpyrazol-5-yl)-1-methylpyrazole-4-sulfonamide
CID 79504522
N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79503403
5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 62317032
N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 79504055
N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide
CID 79504054
N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 79503404
5-bromo-N-(4-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 86819055
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole
CID 151875563
N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide
CID 79503872
N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide
CID 78965582

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide (CID 79503202) is 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide is Cn1ncc(C#N)c1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is NCMBKFKUQYMRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2S2/c1-14-9(6(4-11)5-12-14)13-18(15,16)8-3-2-7(10)17-8/h2-3,5,13H,1H3.
What are the key properties of 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide?
5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 347.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 79503202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).