3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide

C20H23ClFN3O2S — CID 59648221

IUPAC3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(Cl)nn2Cc1ccc(F)cc1
InChIInChI=1S/C20H23ClFN3O2S/c1-3-11-24(12-4-2)28(26,27)17-9-10-19-18(13-17)20(21)23-25(19)14-15-5-7-16(22)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyKUWDQJQOOXGULO-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.69
Rot. Bonds8

About 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide

3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide (PubChem CID 59648221) has the molecular formula C20H23ClFN3O2S and a molecular weight of 423.94 g/mol. Its IUPAC name is 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide.

Molecular Properties

Compound Name3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide
PubChem CID59648221
Molecular FormulaC20H23ClFN3O2S
Molecular Weight423.94 g/mol
Exact Mass423.12
IUPAC Name3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(Cl)nn2Cc1ccc(F)cc1
InChIInChI=1S/C20H23ClFN3O2S/c1-3-11-24(12-4-2)28(26,27)17-9-10-19-18(13-17)20(21)23-25(19)14-15-5-7-16(22)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyKUWDQJQOOXGULO-UHFFFAOYSA-N
XLogP4.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide?
The IUPAC name of 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide (CID 59648221) is 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide.
What is the SMILES notation for 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide?
The canonical SMILES for 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide is CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(Cl)nn2Cc1ccc(F)cc1.
What is the InChIKey of 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide?
The InChIKey is KUWDQJQOOXGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O2S/c1-3-11-24(12-4-2)28(26,27)17-9-10-19-18(13-17)20(21)23-25(19)14-15-5-7-16(22)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide?
3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide has a molecular weight of 423.94 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(4-fluorophenyl)methyl]-N,N-dipropylindazole-5-sulfonamide is sourced from PubChem (CID 59648221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).