1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide

C12H14BrFN4O2S — CID 106078329

IUPAC1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C12H14BrFN4O2S/c13-11-6-9(2-3-12(11)14)17-21(19,20)10-7-16-18(8-10)5-1-4-15/h2-3,6-8,17H,1,4-5,15H2
InChIKeyQXSICWGGEAHIPP-UHFFFAOYSA-N
MW377.24 g/mol
LogP1.93
Rot. Bonds6

About 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide (PubChem CID 106078329) has the molecular formula C12H14BrFN4O2S and a molecular weight of 377.24 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide
PubChem CID106078329
Molecular FormulaC12H14BrFN4O2S
Molecular Weight377.24 g/mol
Exact Mass376.00
IUPAC Name1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C12H14BrFN4O2S/c13-11-6-9(2-3-12(11)14)17-21(19,20)10-7-16-18(8-10)5-1-4-15/h2-3,6-8,17H,1,4-5,15H2
InChIKeyQXSICWGGEAHIPP-UHFFFAOYSA-N
XLogP1.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
CID 106087019
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 106031094
1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide
CID 106020893
1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
CID 106059548
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
1-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)pyrazole-4-sulfonamide
CID 106089376
1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
CID 106003518
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide (CID 106078329) is 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide is NCCCn1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cn1.
What is the InChIKey of 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide?
The InChIKey is QXSICWGGEAHIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4O2S/c13-11-6-9(2-3-12(11)14)17-21(19,20)10-7-16-18(8-10)5-1-4-15/h2-3,6-8,17H,1,4-5,15H2.
What are the key properties of 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide has a molecular weight of 377.24 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106078329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).