N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C23H21ClN2O4S — CID 16561917

IUPACN-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C23H21ClN2O4S/c1-15-12-17-13-16(8-10-21(17)26(15)31(2,28)29)23(27)25-20-14-18(24)9-11-22(20)30-19-6-4-3-5-7-19/h3-11,13-15H,12H2,1-2H3,(H,25,27)
InChIKeyQKODWZUJJHXUSP-UHFFFAOYSA-N
MW456.95 g/mol
LogP5.10
Rot. Bonds5

About N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 16561917) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID16561917
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C23H21ClN2O4S/c1-15-12-17-13-16(8-10-21(17)26(15)31(2,28)29)23(27)25-20-14-18(24)9-11-22(20)30-19-6-4-3-5-7-19/h3-11,13-15H,12H2,1-2H3,(H,25,27)
InChIKeyQKODWZUJJHXUSP-UHFFFAOYSA-N
XLogP5.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.95
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-chloro-2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777424
(2S)-N-(2,4-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452610
N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
CID 55474873
(2S)-N-(2-ethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603014
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 30236152
(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595
N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 100766221
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
(4-benzamidophenyl) 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55383877

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 16561917) is N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is QKODWZUJJHXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c1-15-12-17-13-16(8-10-21(17)26(15)31(2,28)29)23(27)25-20-14-18(24)9-11-22(20)30-19-6-4-3-5-7-19/h3-11,13-15H,12H2,1-2H3,(H,25,27).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 456.95 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 16561917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).