N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide

C17H16Cl2N2O3S — CID 110343140

IUPACN-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
SMILESO=C(CCS(=O)(=O)N1CCc2ccccc21)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c18-13-5-6-14(19)15(11-13)20-17(22)8-10-25(23,24)21-9-7-12-3-1-2-4-16(12)21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyTUMCCQKNJOGJKH-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.71
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide

N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide (PubChem CID 110343140) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
PubChem CID110343140
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC NameN-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
SMILESO=C(CCS(=O)(=O)N1CCc2ccccc21)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c18-13-5-6-14(19)15(11-13)20-17(22)8-10-25(23,24)21-9-7-12-3-1-2-4-16(12)21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyTUMCCQKNJOGJKH-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343101
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110343083
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
CID 110343084
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide
CID 110342855
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110342862
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036
5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide
CID 51114529
N-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034841
2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110343053

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide (CID 110343140) is N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide is O=C(CCS(=O)(=O)N1CCc2ccccc21)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide?
The InChIKey is TUMCCQKNJOGJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c18-13-5-6-14(19)15(11-13)20-17(22)8-10-25(23,24)21-9-7-12-3-1-2-4-16(12)21/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide?
N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide has a molecular weight of 399.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide is sourced from PubChem (CID 110343140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).