3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide

C13H9BrClN3O2S — CID 106606417

IUPAC3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2ccccc12)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H9BrClN3O2S/c14-10-7-8(5-6-11(10)15)21(19,20)18-13-9-3-1-2-4-12(9)16-17-13/h1-7H,(H2,16,17,18)
InChIKeyHUVVGEROLWZAGX-UHFFFAOYSA-N
MW386.66 g/mol
LogP3.78
Rot. Bonds3

About 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide

3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide (PubChem CID 106606417) has the molecular formula C13H9BrClN3O2S and a molecular weight of 386.66 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
PubChem CID106606417
Molecular FormulaC13H9BrClN3O2S
Molecular Weight386.66 g/mol
Exact Mass384.93
IUPAC Name3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2ccccc12)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H9BrClN3O2S/c14-10-7-8(5-6-11(10)15)21(19,20)18-13-9-3-1-2-4-12(9)16-17-13/h1-7H,(H2,16,17,18)
InChIKeyHUVVGEROLWZAGX-UHFFFAOYSA-N
XLogP3.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.66
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686764
3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686573
2,6-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686222
N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide
CID 3865919
4-chloro-N-(4-chloro-1H-indazol-3-yl)benzenesulfonamide
CID 2806039
N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide
CID 22567162
5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide
CID 106272595
N-(1H-indazol-3-yl)-1-phenylmethanesulfonamide
CID 62687480
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
N-[4-[(6-chloro-5-phenyl-1H-indazol-3-yl)sulfamoyl]phenyl]acetamide
CID 10478461
2,5-dichloro-N-(1H-indazol-3-yl)benzamide
CID 60729962

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide (CID 106606417) is 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1n[nH]c2ccccc12)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is HUVVGEROLWZAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O2S/c14-10-7-8(5-6-11(10)15)21(19,20)18-13-9-3-1-2-4-12(9)16-17-13/h1-7H,(H2,16,17,18).
What are the key properties of 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide?
3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 386.66 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 106606417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).