1-(benzenesulfonyl)-6-bromoindazol-3-amine

C13H10BrN3O2S — CID 163248810

IUPAC1-(benzenesulfonyl)-6-bromoindazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C13H10BrN3O2S/c14-9-6-7-11-12(8-9)17(16-13(11)15)20(18,19)10-4-2-1-3-5-10/h1-8H,(H2,15,16)
InChIKeyGTWUWWDPKKPKNS-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.62
Rot. Bonds2

About 1-(benzenesulfonyl)-6-bromoindazol-3-amine

1-(benzenesulfonyl)-6-bromoindazol-3-amine (PubChem CID 163248810) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-bromoindazol-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-bromoindazol-3-amine
PubChem CID163248810
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC Name1-(benzenesulfonyl)-6-bromoindazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C13H10BrN3O2S/c14-9-6-7-11-12(8-9)17(16-13(11)15)20(18,19)10-4-2-1-3-5-10/h1-8H,(H2,15,16)
InChIKeyGTWUWWDPKKPKNS-UHFFFAOYSA-N
XLogP2.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-1-methylindazol-3-amine
CID 46835549
6-bromo-3-iodo-1-methylsulfonylindazole
CID 138734299
2-(3-amino-6-bromoindazol-1-yl)ethanol
CID 135312916
1-(benzenesulfonyl)-5-bromoindole-2-sulfonyl chloride
CID 88924862
1-(benzenesulfonyl)indazol-4-amine
CID 88992667
1-(benzenesulfonyl)-2,5-dibromopyrrole
CID 71523732
6-bromo-3-methyl-1-phenylindazole
CID 67449853
[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol
CID 66852224
1-(benzenesulfonyl)-5-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 172609522
3-[1-(benzenesulfonyl)-6-bromoindol-2-yl]-3-oxopropanenitrile
CID 126608417
1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
CID 129103888
benzyl 1-(benzenesulfonyl)indazole-3-carboxylate
CID 156531847

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-bromoindazol-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-6-bromoindazol-3-amine (CID 163248810) is 1-(benzenesulfonyl)-6-bromoindazol-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-6-bromoindazol-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-6-bromoindazol-3-amine is Nc1nn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12.
What is the InChIKey of 1-(benzenesulfonyl)-6-bromoindazol-3-amine?
The InChIKey is GTWUWWDPKKPKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c14-9-6-7-11-12(8-9)17(16-13(11)15)20(18,19)10-4-2-1-3-5-10/h1-8H,(H2,15,16).
What are the key properties of 1-(benzenesulfonyl)-6-bromoindazol-3-amine?
1-(benzenesulfonyl)-6-bromoindazol-3-amine has a molecular weight of 352.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-bromoindazol-3-amine is sourced from PubChem (CID 163248810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).