N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide

C21H22FN3O3S — CID 10001901

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide
SMILESCCCS(=O)(=O)n1ncc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccc21
InChIInChI=1S/C21H22FN3O3S/c1-3-8-29(27,28)25-20-7-4-14(9-16(20)12-23-25)18-10-15(11-19(22)13(18)2)21(26)24-17-5-6-17/h4,7,9-12,17H,3,5-6,8H2,1-2H3,(H,24,26)
InChIKeyOVPIEFCWBXNLLM-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.63
Rot. Bonds6

About N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide (PubChem CID 10001901) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide
PubChem CID10001901
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide
SMILESCCCS(=O)(=O)n1ncc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccc21
InChIInChI=1S/C21H22FN3O3S/c1-3-8-29(27,28)25-20-7-4-14(9-16(20)12-23-25)18-10-15(11-19(22)13(18)2)21(26)24-17-5-6-17/h4,7,9-12,17H,3,5-6,8H2,1-2H3,(H,24,26)
InChIKeyOVPIEFCWBXNLLM-UHFFFAOYSA-N
XLogP3.63
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide (CID 10001901) is N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide is CCCS(=O)(=O)n1ncc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccc21.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide?
The InChIKey is OVPIEFCWBXNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-3-8-29(27,28)25-20-7-4-14(9-16(20)12-23-25)18-10-15(11-19(22)13(18)2)21(26)24-17-5-6-17/h4,7,9-12,17H,3,5-6,8H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide is sourced from PubChem (CID 10001901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).