2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide

C14H11Cl2N3O2S — CID 59514150

IUPAC2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide
SMILESCn1ncc2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C14H11Cl2N3O2S/c1-19-13-4-3-11(6-9(13)8-17-19)18-22(20,21)14-5-2-10(15)7-12(14)16/h2-8,18H,1H3
InChIKeyFNCAMQJUHFFANU-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.68
Rot. Bonds3

About 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide

2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide (PubChem CID 59514150) has the molecular formula C14H11Cl2N3O2S and a molecular weight of 356.23 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide
PubChem CID59514150
Molecular FormulaC14H11Cl2N3O2S
Molecular Weight356.23 g/mol
Exact Mass354.99
IUPAC Name2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide
SMILESCn1ncc2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C14H11Cl2N3O2S/c1-19-13-4-3-11(6-9(13)8-17-19)18-22(20,21)14-5-2-10(15)7-12(14)16/h2-8,18H,1H3
InChIKeyFNCAMQJUHFFANU-UHFFFAOYSA-N
XLogP3.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(1-methylindol-5-yl)benzenesulfonamide
CID 59823134
3,5-dichloro-2-hydroxy-N-(1-propan-2-ylindazol-5-yl)benzenesulfonamide
CID 146600973
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449
N-tert-butyl-1-methylindazol-5-amine
CID 58709852
N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine
CID 59514308
2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 11517216
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276
N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
CID 59823085
N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide
CID 69225495
2,5-dichloro-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 4769211

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide (CID 59514150) is 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide is Cn1ncc2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc21.
What is the InChIKey of 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide?
The InChIKey is FNCAMQJUHFFANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S/c1-19-13-4-3-11(6-9(13)8-17-19)18-22(20,21)14-5-2-10(15)7-12(14)16/h2-8,18H,1H3.
What are the key properties of 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide?
2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide has a molecular weight of 356.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 59514150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).