4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide

C11H13BrN4O2S — CID 106061259

IUPAC4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)Nc2ccccc2Br)c1CN
InChIInChI=1S/C11H13BrN4O2S/c1-7-8(6-13)11(15-14-7)19(17,18)16-10-5-3-2-4-9(10)12/h2-5,16H,6,13H2,1H3,(H,14,15)
InChIKeyBUTLBSCVXSHIAT-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.74
Rot. Bonds4

About 4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106061259) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106061259
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)Nc2ccccc2Br)c1CN
InChIInChI=1S/C11H13BrN4O2S/c1-7-8(6-13)11(15-14-7)19(17,18)16-10-5-3-2-4-9(10)12/h2-5,16H,6,13H2,1H3,(H,14,15)
InChIKeyBUTLBSCVXSHIAT-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-(2-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106067194
4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106057369
4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide
CID 106063173
N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106076549
4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106061164
4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106085938
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
CID 106056788
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055894
3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106061953
N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303927

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 106061259) is 4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)Nc2ccccc2Br)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is BUTLBSCVXSHIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-7-8(6-13)11(15-14-7)19(17,18)16-10-5-3-2-4-9(10)12/h2-5,16H,6,13H2,1H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-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-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106061259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).