5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide

C8H8BrN3O2S2 — CID 112691551

IUPAC5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H8BrN3O2S2/c1-5-4-10-11-8(5)12-16(13,14)7-3-2-6(9)15-7/h2-4H,1H3,(H2,10,11,12)
InChIKeyCSCDQDWIMQUGII-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.34
Rot. Bonds3

About 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide

5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide (PubChem CID 112691551) has the molecular formula C8H8BrN3O2S2 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
PubChem CID112691551
Molecular FormulaC8H8BrN3O2S2
Molecular Weight322.21 g/mol
Exact Mass320.92
IUPAC Name5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H8BrN3O2S2/c1-5-4-10-11-8(5)12-16(13,14)7-3-2-6(9)15-7/h2-4H,1H3,(H2,10,11,12)
InChIKeyCSCDQDWIMQUGII-UHFFFAOYSA-N
XLogP2.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237166
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433906
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride
CID 53313303

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide (CID 112691551) is 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide is Cc1cn[nH]c1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is CSCDQDWIMQUGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2S2/c1-5-4-10-11-8(5)12-16(13,14)7-3-2-6(9)15-7/h2-4H,1H3,(H2,10,11,12).
What are the key properties of 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide?
5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 322.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 112691551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).