N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide

C22H20N2O3S — CID 112506160

IUPACN-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-16-7-10-20(11-8-16)28(26,27)23-19-9-12-21-18(15-19)13-14-24(21)22(25)17-5-3-2-4-6-17/h2-12,15,23H,13-14H2,1H3
InChIKeyXQSGYKHSMWQXLK-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.00
Rot. Bonds4

About N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide

N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 112506160) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
PubChem CID112506160
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-16-7-10-20(11-8-16)28(26,27)23-19-9-12-21-18(15-19)13-14-24(21)22(25)17-5-3-2-4-6-17/h2-12,15,23H,13-14H2,1H3
InChIKeyXQSGYKHSMWQXLK-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
4-fluoro-N-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzenesulfonamide
CID 37332333
1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247836
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
CID 175256047
N-(2-ethylphenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247908
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide (CID 112506160) is N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is XQSGYKHSMWQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-16-7-10-20(11-8-16)28(26,27)23-19-9-12-21-18(15-19)13-14-24(21)22(25)17-5-3-2-4-6-17/h2-12,15,23H,13-14H2,1H3.
What are the key properties of N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide?
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 112506160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).