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

C11H13BrN4O2S — CID 106089279

IUPAC4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2[nH]ncc2CN)c1
InChIInChI=1S/C11H13BrN4O2S/c1-7-2-9(12)4-10(3-7)16-19(17,18)11-8(5-13)6-14-15-11/h2-4,6,16H,5,13H2,1H3,(H,14,15)
InChIKeyAYRIKARDXOAWJT-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.74
Rot. Bonds4

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

4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106089279) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID106089279
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2[nH]ncc2CN)c1
InChIInChI=1S/C11H13BrN4O2S/c1-7-2-9(12)4-10(3-7)16-19(17,18)11-8(5-13)6-14-15-11/h2-4,6,16H,5,13H2,1H3,(H,14,15)
InChIKeyAYRIKARDXOAWJT-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

N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089323
4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106064469
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
N-(4-bromo-3,5-dimethylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087341
3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106089284
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106086911
4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide
CID 106088231
4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide
CID 106003603
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058544
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide (CID 106089279) is 4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide is Cc1cc(Br)cc(NS(=O)(=O)c2[nH]ncc2CN)c1.
What is the InChIKey of 4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is AYRIKARDXOAWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-7-2-9(12)4-10(3-7)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-5-methylphenyl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(3-bromo-5-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-5-methylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106089279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).