5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C13H17BrN4O2S — CID 106054607

IUPAC5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C13H17BrN4O2S/c1-10-12(14)7-11(9-15)8-13(10)21(19,20)17-4-6-18-5-2-3-16-18/h2-3,5,7-8,17H,4,6,9,15H2,1H3
InChIKeyVMUXURHJVPDVRV-UHFFFAOYSA-N
MW373.28 g/mol
LogP1.39
Rot. Bonds6

About 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 106054607) has the molecular formula C13H17BrN4O2S and a molecular weight of 373.28 g/mol. Its IUPAC name is 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID106054607
Molecular FormulaC13H17BrN4O2S
Molecular Weight373.28 g/mol
Exact Mass372.03
IUPAC Name5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C13H17BrN4O2S/c1-10-12(14)7-11(9-15)8-13(10)21(19,20)17-4-6-18-5-2-3-16-18/h2-3,5,7-8,17H,4,6,9,15H2,1H3
InChIKeyVMUXURHJVPDVRV-UHFFFAOYSA-N
XLogP1.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 114379310
5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054562
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077256
5-(aminomethyl)-3-bromo-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059205
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
5-(aminomethyl)-3-bromo-N-(2-butoxyethyl)-2-methylbenzenesulfonamide
CID 106017604
5-amino-4-bromo-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 81396960
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
5-(aminomethyl)-3-bromo-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433770
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 106054607) is 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is Cc1c(Br)cc(CN)cc1S(=O)(=O)NCCn1cccn1.
What is the InChIKey of 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is VMUXURHJVPDVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2S/c1-10-12(14)7-11(9-15)8-13(10)21(19,20)17-4-6-18-5-2-3-16-18/h2-3,5,7-8,17H,4,6,9,15H2,1H3.
What are the key properties of 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 373.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106054607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).