3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide

C13H17BrN4O2S — CID 105358529

IUPAC3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC(C)c2ccc(Br)cc2)c(N)nn1C
InChIInChI=1S/C13H17BrN4O2S/c1-8(10-4-6-11(14)7-5-10)17-21(19,20)12-9(2)18(3)16-13(12)15/h4-8,17H,1-3H3,(H2,15,16)
InChIKeyVBSWXRNFKUQNLM-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.11
Rot. Bonds4

About 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358529) has the molecular formula C13H17BrN4O2S and a molecular weight of 373.28 g/mol. Its IUPAC name is 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358529
Molecular FormulaC13H17BrN4O2S
Molecular Weight373.28 g/mol
Exact Mass372.03
IUPAC Name3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC(C)c2ccc(Br)cc2)c(N)nn1C
InChIInChI=1S/C13H17BrN4O2S/c1-8(10-4-6-11(14)7-5-10)17-21(19,20)12-9(2)18(3)16-13(12)15/h4-8,17H,1-3H3,(H2,15,16)
InChIKeyVBSWXRNFKUQNLM-UHFFFAOYSA-N
XLogP2.11
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 107869091
3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 105359223
5-bromo-N-[1-(4-bromophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106466652
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide
CID 105358385
N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 47164706
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
CID 107868859
N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106833768
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 107869104
3-amino-1,5-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 105358699
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide (CID 105358529) is 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NC(C)c2ccc(Br)cc2)c(N)nn1C.
What is the InChIKey of 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is VBSWXRNFKUQNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2S/c1-8(10-4-6-11(14)7-5-10)17-21(19,20)12-9(2)18(3)16-13(12)15/h4-8,17H,1-3H3,(H2,15,16).
What are the key properties of 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 373.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).