N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C26H27N3O3S — CID 55817081

IUPACN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C26H27N3O3S/c30-26(21-10-7-11-23(18-21)33(31,32)29-15-5-6-16-29)27-24-12-3-1-9-22(24)19-28-17-14-20-8-2-4-13-25(20)28/h1-4,7-13,18H,5-6,14-17,19H2,(H,27,30)
InChIKeyYZGDIJBTADSDNT-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55817081) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55817081
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C26H27N3O3S/c30-26(21-10-7-11-23(18-21)33(31,32)29-15-5-6-16-29)27-24-12-3-1-9-22(24)19-28-17-14-20-8-2-4-13-25(20)28/h1-4,7-13,18H,5-6,14-17,19H2,(H,27,30)
InChIKeyYZGDIJBTADSDNT-UHFFFAOYSA-N
XLogP4.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
2-(2,3-dihydroindol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783327
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55817081) is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1CN1CCc2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YZGDIJBTADSDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c30-26(21-10-7-11-23(18-21)33(31,32)29-15-5-6-16-29)27-24-12-3-1-9-22(24)19-28-17-14-20-8-2-4-13-25(20)28/h1-4,7-13,18H,5-6,14-17,19H2,(H,27,30).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 461.59 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55817081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).