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

C22H18FN3O3S2 — CID 10253500

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C22H18FN3O3S2/c1-13-18(10-15(11-19(13)23)22(27)25-17-5-6-17)14-4-7-20-16(9-14)12-24-26(20)31(28,29)21-3-2-8-30-21/h2-4,7-12,17H,5-6H2,1H3,(H,25,27)
InChIKeyHHBGBQXOXHOLKR-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.34
Rot. Bonds5

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

N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide (PubChem CID 10253500) has the molecular formula C22H18FN3O3S2 and a molecular weight of 455.54 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide
PubChem CID10253500
Molecular FormulaC22H18FN3O3S2
Molecular Weight455.54 g/mol
Exact Mass455.08
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C22H18FN3O3S2/c1-13-18(10-15(11-19(13)23)22(27)25-17-5-6-17)14-4-7-20-16(9-14)12-24-26(20)31(28,29)21-3-2-8-30-21/h2-4,7-12,17H,5-6H2,1H3,(H,25,27)
InChIKeyHHBGBQXOXHOLKR-UHFFFAOYSA-N
XLogP4.34
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide (CID 10253500) is N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide?
The InChIKey is HHBGBQXOXHOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S2/c1-13-18(10-15(11-19(13)23)22(27)25-17-5-6-17)14-4-7-20-16(9-14)12-24-26(20)31(28,29)21-3-2-8-30-21/h2-4,7-12,17H,5-6H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide has a molecular weight of 455.54 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide is sourced from PubChem (CID 10253500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).