5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

C11H14BrN3O2S2 — CID 22209573

IUPAC5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1cc(CNS(=O)(=O)c2ccc(Br)s2)c(C)n1
InChIInChI=1S/C11H14BrN3O2S2/c1-3-15-7-9(8(2)14-15)6-13-19(16,17)11-5-4-10(12)18-11/h4-5,7,13H,3,6H2,1-2H3
InChIKeyOMVUAQCFLRTLJM-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.51
Rot. Bonds5

About 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 22209573) has the molecular formula C11H14BrN3O2S2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID22209573
Molecular FormulaC11H14BrN3O2S2
Molecular Weight364.29 g/mol
Exact Mass362.97
IUPAC Name5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1cc(CNS(=O)(=O)c2ccc(Br)s2)c(C)n1
InChIInChI=1S/C11H14BrN3O2S2/c1-3-15-7-9(8(2)14-15)6-13-19(16,17)11-5-4-10(12)18-11/h4-5,7,13H,3,6H2,1-2H3
InChIKeyOMVUAQCFLRTLJM-UHFFFAOYSA-N
XLogP2.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209576
2,4,5-trichloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209591
5-bromo-N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]thiophene-2-sulfonamide
CID 110416286
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209589
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714729
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 3714744
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 122275603
5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide
CID 92686097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 22209573) is 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is CCn1cc(CNS(=O)(=O)c2ccc(Br)s2)c(C)n1.
What is the InChIKey of 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is OMVUAQCFLRTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S2/c1-3-15-7-9(8(2)14-15)6-13-19(16,17)11-5-4-10(12)18-11/h4-5,7,13H,3,6H2,1-2H3.
What are the key properties of 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 364.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22209573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).