5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide

C11H15BrN4O2S2 — CID 106056815

IUPAC5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2cc(CN)sc2Br)cn1
InChIInChI=1S/C11H15BrN4O2S2/c1-7(2)16-6-8(5-14-16)15-20(17,18)10-3-9(4-13)19-11(10)12/h3,5-7,15H,4,13H2,1-2H3
InChIKeyMLYGRNWQEOPVAB-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.55
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide (PubChem CID 106056815) has the molecular formula C11H15BrN4O2S2 and a molecular weight of 379.31 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide
PubChem CID106056815
Molecular FormulaC11H15BrN4O2S2
Molecular Weight379.31 g/mol
Exact Mass377.98
IUPAC Name5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2cc(CN)sc2Br)cn1
InChIInChI=1S/C11H15BrN4O2S2/c1-7(2)16-6-8(5-14-16)15-20(17,18)10-3-9(4-13)19-11(10)12/h3,5-7,15H,4,13H2,1-2H3
InChIKeyMLYGRNWQEOPVAB-UHFFFAOYSA-N
XLogP2.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-2-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 106056789
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383213
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
4-amino-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 62902817
5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106076839
5-(aminomethyl)-2-bromo-N-(1-cyclobutylethyl)thiophene-3-sulfonamide
CID 106084947
3-bromo-4-chloro-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 106612227
5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62902663
4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
CID 106056788
5-(aminomethyl)-2-bromo-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086989

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide (CID 106056815) is 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide is CC(C)n1cc(NS(=O)(=O)c2cc(CN)sc2Br)cn1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide?
The InChIKey is MLYGRNWQEOPVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2S2/c1-7(2)16-6-8(5-14-16)15-20(17,18)10-3-9(4-13)19-11(10)12/h3,5-7,15H,4,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide has a molecular weight of 379.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106056815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).