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

C23H20FN3O3S2 — CID 44528613

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(c1)c(C)nn2S(=O)(=O)c1cccs1
InChIInChI=1S/C23H20FN3O3S2/c1-13-18(11-16(12-20(13)24)23(28)25-17-6-7-17)15-5-8-21-19(10-15)14(2)26-27(21)32(29,30)22-4-3-9-31-22/h3-5,8-12,17H,6-7H2,1-2H3,(H,25,28)
InChIKeyVPIWRNWXHSRPLX-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.65
Rot. Bonds5

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

N-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide (PubChem CID 44528613) has the molecular formula C23H20FN3O3S2 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide
PubChem CID44528613
Molecular FormulaC23H20FN3O3S2
Molecular Weight469.56 g/mol
Exact Mass469.09
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(c1)c(C)nn2S(=O)(=O)c1cccs1
InChIInChI=1S/C23H20FN3O3S2/c1-13-18(11-16(12-20(13)24)23(28)25-17-6-7-17)15-5-8-21-19(10-15)14(2)26-27(21)32(29,30)22-4-3-9-31-22/h3-5,8-12,17H,6-7H2,1-2H3,(H,25,28)
InChIKeyVPIWRNWXHSRPLX-UHFFFAOYSA-N
XLogP4.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.65
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-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide (CID 44528613) is N-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(c1)c(C)nn2S(=O)(=O)c1cccs1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide?
The InChIKey is VPIWRNWXHSRPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S2/c1-13-18(11-16(12-20(13)24)23(28)25-17-6-7-17)15-5-8-21-19(10-15)14(2)26-27(21)32(29,30)22-4-3-9-31-22/h3-5,8-12,17H,6-7H2,1-2H3,(H,25,28).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide has a molecular weight of 469.56 g/mol, XLogP of 4.65, 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-(3-methyl-1-thiophen-2-ylsulfonylindazol-5-yl)benzamide is sourced from PubChem (CID 44528613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).