N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide

C21H22FN3O3S — CID 10024868

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)C(C)C)c1
InChIInChI=1S/C21H22FN3O3S/c1-12(2)29(27,28)25-20-7-4-14(8-16(20)11-23-25)18-9-15(10-19(22)13(18)3)21(26)24-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3,(H,24,26)
InChIKeyOLEXIWOJOPRNRG-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.63
Rot. Bonds5

About N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide (PubChem CID 10024868) 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-propan-2-ylsulfonylindazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide
PubChem CID10024868
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)C(C)C)c1
InChIInChI=1S/C21H22FN3O3S/c1-12(2)29(27,28)25-20-7-4-14(8-16(20)11-23-25)18-9-15(10-19(22)13(18)3)21(26)24-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3,(H,24,26)
InChIKeyOLEXIWOJOPRNRG-UHFFFAOYSA-N
XLogP3.63
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-propan-2-ylsulfonylindazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide (CID 10024868) is N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)C(C)C)c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide?
The InChIKey is OLEXIWOJOPRNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-12(2)29(27,28)25-20-7-4-14(8-16(20)11-23-25)18-9-15(10-19(22)13(18)3)21(26)24-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3,(H,24,26).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.63, 5 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-propan-2-ylsulfonylindazol-5-yl)benzamide is sourced from PubChem (CID 10024868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).