2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide

C9H11BrN4O2S2 — CID 114134489

IUPAC2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cn[nH]c2)c(Br)s1
InChIInChI=1S/C9H11BrN4O2S2/c1-11-5-7-2-8(9(10)17-7)18(15,16)14-6-3-12-13-4-6/h2-4,11,14H,5H2,1H3,(H,12,13)
InChIKeyPJYPWCDTLGXUAN-UHFFFAOYSA-N
MW351.25 g/mol
LogP1.75
Rot. Bonds5

About 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide (PubChem CID 114134489) has the molecular formula C9H11BrN4O2S2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide
PubChem CID114134489
Molecular FormulaC9H11BrN4O2S2
Molecular Weight351.25 g/mol
Exact Mass349.95
IUPAC Name2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cn[nH]c2)c(Br)s1
InChIInChI=1S/C9H11BrN4O2S2/c1-11-5-7-2-8(9(10)17-7)18(15,16)14-6-3-12-13-4-6/h2-4,11,14H,5H2,1H3,(H,12,13)
InChIKeyPJYPWCDTLGXUAN-UHFFFAOYSA-N
XLogP1.75
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 106218496
2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090264
2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076838
2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056173
2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 81326724
2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050876
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 106087977
2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086828
2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018991
2-bromo-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085272
5-methyl-3-(methylaminomethyl)-N-(1H-pyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 114134468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide (CID 114134489) is 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2cn[nH]c2)c(Br)s1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide?
The InChIKey is PJYPWCDTLGXUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2S2/c1-11-5-7-2-8(9(10)17-7)18(15,16)14-6-3-12-13-4-6/h2-4,11,14H,5H2,1H3,(H,12,13).
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide has a molecular weight of 351.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 114134489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).