N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide

C22H18ClFN2O3S — CID 15999729

IUPACN-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(NCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C22H18ClFN2O3S/c23-19-7-3-1-6-16(19)14-25-22(27)18-13-17(9-10-20(18)24)30(28,29)26-12-11-15-5-2-4-8-21(15)26/h1-10,13H,11-12,14H2,(H,25,27)
InChIKeyXKEHXIJKNONKFN-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.16
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide

N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide (PubChem CID 15999729) has the molecular formula C22H18ClFN2O3S and a molecular weight of 444.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
PubChem CID15999729
Molecular FormulaC22H18ClFN2O3S
Molecular Weight444.92 g/mol
Exact Mass444.07
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(NCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C22H18ClFN2O3S/c23-19-7-3-1-6-16(19)14-25-22(27)18-13-17(9-10-20(18)24)30(28,29)26-12-11-15-5-2-4-8-21(15)26/h1-10,13H,11-12,14H2,(H,25,27)
InChIKeyXKEHXIJKNONKFN-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide (CID 15999729) is N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide is O=C(NCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The InChIKey is XKEHXIJKNONKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3S/c23-19-7-3-1-6-16(19)14-25-22(27)18-13-17(9-10-20(18)24)30(28,29)26-12-11-15-5-2-4-8-21(15)26/h1-10,13H,11-12,14H2,(H,25,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide has a molecular weight of 444.92 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide is sourced from PubChem (CID 15999729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).