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

C14H13BrN4O2S2 — CID 122275603

IUPAC5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCn1cc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C14H13BrN4O2S2/c1-19-9-11(7-17-19)14-10(3-2-6-16-14)8-18-23(20,21)13-5-4-12(15)22-13/h2-7,9,18H,8H2,1H3
InChIKeyLGVBNIYUCQBJHV-UHFFFAOYSA-N
MW413.32 g/mol
LogP2.78
Rot. Bonds5

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

5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide (PubChem CID 122275603) has the molecular formula C14H13BrN4O2S2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
PubChem CID122275603
Molecular FormulaC14H13BrN4O2S2
Molecular Weight413.32 g/mol
Exact Mass411.97
IUPAC Name5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCn1cc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C14H13BrN4O2S2/c1-19-9-11(7-17-19)14-10(3-2-6-16-14)8-18-23(20,21)13-5-4-12(15)22-13/h2-7,9,18H,8H2,1H3
InChIKeyLGVBNIYUCQBJHV-UHFFFAOYSA-N
XLogP2.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 122275551
4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121022847
3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275612
4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275553
1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
CID 122275647
4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275576
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 53148365
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide
CID 122162763

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide (CID 122275603) is 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide is Cn1cc(-c2ncccc2CNS(=O)(=O)c2ccc(Br)s2)cn1.
What is the InChIKey of 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
The InChIKey is LGVBNIYUCQBJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2S2/c1-19-9-11(7-17-19)14-10(3-2-6-16-14)8-18-23(20,21)13-5-4-12(15)22-13/h2-7,9,18H,8H2,1H3.
What are the key properties of 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide has a molecular weight of 413.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122275603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).