3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide

C18H20ClN3O3S — CID 11545651

IUPAC3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)c(=O)[nH]n2CC(C)C
InChIInChI=1S/C18H20ClN3O3S/c1-11(2)10-22-16-8-7-13(9-14(16)18(23)20-22)21-26(24,25)17-6-4-5-15(19)12(17)3/h4-9,11,21H,10H2,1-3H3,(H,20,23)
InChIKeyHESNOANINMTXJI-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.75
Rot. Bonds5

About 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide

3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide (PubChem CID 11545651) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
PubChem CID11545651
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)c(=O)[nH]n2CC(C)C
InChIInChI=1S/C18H20ClN3O3S/c1-11(2)10-22-16-8-7-13(9-14(16)18(23)20-22)21-26(24,25)17-6-4-5-15(19)12(17)3/h4-9,11,21H,10H2,1-3H3,(H,20,23)
InChIKeyHESNOANINMTXJI-UHFFFAOYSA-N
XLogP3.75
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide
CID 11646301
2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 11517216
3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide
CID 68832098
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 172731736
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
2,3-dichloro-N-[1-[(3,4-difluorophenyl)methyl]-3-oxo-2H-indazol-5-yl]-6-methylbenzenesulfonamide
CID 68838533
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
CID 142674275
3-chloro-2-methyl-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 59018209
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide (CID 11545651) is 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)c(=O)[nH]n2CC(C)C.
What is the InChIKey of 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
The InChIKey is HESNOANINMTXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-11(2)10-22-16-8-7-13(9-14(16)18(23)20-22)21-26(24,25)17-6-4-5-15(19)12(17)3/h4-9,11,21H,10H2,1-3H3,(H,20,23).
What are the key properties of 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11545651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).