2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide

C17H17Cl2N3O3S — CID 11517216

IUPAC2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
SMILESCC(C)Cn1[nH]c(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C17H17Cl2N3O3S/c1-10(2)9-22-15-5-4-12(8-13(15)17(23)20-22)21-26(24,25)16-6-3-11(18)7-14(16)19/h3-8,10,21H,9H2,1-2H3,(H,20,23)
InChIKeyYLQJAWZZYGQDID-UHFFFAOYSA-N
MW414.31 g/mol
LogP4.09
Rot. Bonds5

About 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide

2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide (PubChem CID 11517216) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
PubChem CID11517216
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
SMILESCC(C)Cn1[nH]c(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C17H17Cl2N3O3S/c1-10(2)9-22-15-5-4-12(8-13(15)17(23)20-22)21-26(24,25)16-6-3-11(18)7-14(16)19/h3-8,10,21H,9H2,1-2H3,(H,20,23)
InChIKeyYLQJAWZZYGQDID-UHFFFAOYSA-N
XLogP4.09
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 11545651
3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide
CID 11646301
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
2,3-dichloro-N-[1-[(3,4-difluorophenyl)methyl]-3-oxo-2H-indazol-5-yl]-6-methylbenzenesulfonamide
CID 68838533
2,4-dichloro-N-(1-methylindol-5-yl)benzenesulfonamide
CID 59823134
3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide
CID 68832098
2,4-dichloro-N-(1-methylindazol-5-yl)benzenesulfonamide
CID 59514150
5-chloro-1-ethyl-2H-indazol-3-one
CID 23063926
2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 172731736
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide (CID 11517216) is 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide is CC(C)Cn1[nH]c(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc21.
What is the InChIKey of 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
The InChIKey is YLQJAWZZYGQDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c1-10(2)9-22-15-5-4-12(8-13(15)17(23)20-22)21-26(24,25)16-6-3-11(18)7-14(16)19/h3-8,10,21H,9H2,1-2H3,(H,20,23).
What are the key properties of 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide has a molecular weight of 414.31 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11517216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).