N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide

C16H16N2O3S — CID 8001369

IUPACN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H16N2O3S/c1-22(20,21)17-14-7-4-6-13(11-14)16(19)18-10-9-12-5-2-3-8-15(12)18/h2-8,11,17H,9-10H2,1H3
InChIKeyHSOOIFGRNBPDLX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.26
Rot. Bonds3

About N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 8001369) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
PubChem CID8001369
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H16N2O3S/c1-22(20,21)17-14-7-4-6-13(11-14)16(19)18-10-9-12-5-2-3-8-15(12)18/h2-8,11,17H,9-10H2,1H3
InChIKeyHSOOIFGRNBPDLX-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide
CID 95580409
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
CID 90104032
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide (CID 8001369) is N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is HSOOIFGRNBPDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-22(20,21)17-14-7-4-6-13(11-14)16(19)18-10-9-12-5-2-3-8-15(12)18/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide?
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 8001369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).