N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide

C25H22FN3O3S — CID 10389671

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide
SMILESCc1cccc(S(=O)(=O)n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)c1
InChIInChI=1S/C25H22FN3O3S/c1-15-4-3-5-21(10-15)33(31,32)29-24-9-6-17(11-19(24)14-27-29)22-12-18(13-23(26)16(22)2)25(30)28-20-7-8-20/h3-6,9-14,20H,7-8H2,1-2H3,(H,28,30)
InChIKeyCORLDRRKNXGMSX-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.59
Rot. Bonds5

About N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide (PubChem CID 10389671) has the molecular formula C25H22FN3O3S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide
PubChem CID10389671
Molecular FormulaC25H22FN3O3S
Molecular Weight463.53 g/mol
Exact Mass463.14
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide
SMILESCc1cccc(S(=O)(=O)n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)c1
InChIInChI=1S/C25H22FN3O3S/c1-15-4-3-5-21(10-15)33(31,32)29-24-9-6-17(11-19(24)14-27-29)22-12-18(13-23(26)16(22)2)25(30)28-20-7-8-20/h3-6,9-14,20H,7-8H2,1-2H3,(H,28,30)
InChIKeyCORLDRRKNXGMSX-UHFFFAOYSA-N
XLogP4.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 11754326
N-cyclopropyl-3-(1-ethylsulfonylindazol-5-yl)-5-fluoro-4-methylbenzamide
CID 58656518
3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide
CID 10027072
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
CID 58919704
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide
CID 11518436
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide;formic acid
CID 131739050
N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide
CID 58656502
N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide
CID 10323853
N-cyclopropyl-3-fluoro-4-methyl-5-[1-[4-(oxolan-2-ylmethylamino)phenyl]indazol-5-yl]benzamide;formic acid
CID 157091078
3-[2-(tert-butylamino)-1,3-benzothiazol-6-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 135283530
N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide
CID 142855166
N-cyclopropyl-3-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide
CID 25060357

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide (CID 10389671) is N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide is Cc1cccc(S(=O)(=O)n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide?
The InChIKey is CORLDRRKNXGMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3S/c1-15-4-3-5-21(10-15)33(31,32)29-24-9-6-17(11-19(24)14-27-29)22-12-18(13-23(26)16(22)2)25(30)28-20-7-8-20/h3-6,9-14,20H,7-8H2,1-2H3,(H,28,30).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide has a molecular weight of 463.53 g/mol, XLogP of 4.59, 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-(3-methylphenyl)sulfonylindazol-5-yl]benzamide is sourced from PubChem (CID 10389671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).