3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide

C25H20N4O3S — CID 134009183

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C25H20N4O3S/c30-25(28-21-16-26-24(27-17-21)19-8-2-1-3-9-19)20-10-6-11-22(15-20)33(31,32)29-14-13-18-7-4-5-12-23(18)29/h1-12,15-17H,13-14H2,(H,28,30)
InChIKeyQSNAQZYDYYCBKY-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.15
Rot. Bonds5

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide (PubChem CID 134009183) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
PubChem CID134009183
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C25H20N4O3S/c30-25(28-21-16-26-24(27-17-21)19-8-2-1-3-9-19)20-10-6-11-22(15-20)33(31,32)29-14-13-18-7-4-5-12-23(18)29/h1-12,15-17H,13-14H2,(H,28,30)
InChIKeyQSNAQZYDYYCBKY-UHFFFAOYSA-N
XLogP4.15
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 66762821
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(N-propan-2-ylanilino)phenyl]benzamide
CID 2509035
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2514088
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide (CID 134009183) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide?
The InChIKey is QSNAQZYDYYCBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c30-25(28-21-16-26-24(27-17-21)19-8-2-1-3-9-19)20-10-6-11-22(15-20)33(31,32)29-14-13-18-7-4-5-12-23(18)29/h1-12,15-17H,13-14H2,(H,28,30).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide has a molecular weight of 456.53 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 134009183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).