4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide

C11H13BrN4O2S — CID 106064469

IUPAC4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2CN)cc1Br
InChIInChI=1S/C11H13BrN4O2S/c1-7-2-3-9(4-10(7)12)16-19(17,18)11-8(5-13)6-14-15-11/h2-4,6,16H,5,13H2,1H3,(H,14,15)
InChIKeySGZOVLYNKLDBCI-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.74
Rot. Bonds4

About 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106064469) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID106064469
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2CN)cc1Br
InChIInChI=1S/C11H13BrN4O2S/c1-7-2-3-9(4-10(7)12)16-19(17,18)11-8(5-13)6-14-15-11/h2-4,6,16H,5,13H2,1H3,(H,14,15)
InChIKeySGZOVLYNKLDBCI-UHFFFAOYSA-N
XLogP1.74
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106089279
N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058544
4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide
CID 106003603
4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide
CID 106088231
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106064431
4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 107509170
N-(4-bromo-3,5-dimethylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087341
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106086911
5-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106064455
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089323
4-(methylaminomethyl)-N-(6-methyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106073192

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide (CID 106064469) is 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2[nH]ncc2CN)cc1Br.
What is the InChIKey of 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is SGZOVLYNKLDBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-7-2-3-9(4-10(7)12)16-19(17,18)11-8(5-13)6-14-15-11/h2-4,6,16H,5,13H2,1H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106064469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).