N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide

C28H23ClN2O4S — CID 100766221

IUPACN-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)ccc32)cc1
InChIInChI=1S/C28H23ClN2O4S/c1-19-7-11-24(12-8-19)36(33,34)31-16-15-20-17-21(9-13-26(20)31)28(32)30-25-18-22(29)10-14-27(25)35-23-5-3-2-4-6-23/h2-14,17-18H,15-16H2,1H3,(H,30,32)
InChIKeyMRVITEQTGXJFQJ-UHFFFAOYSA-N
MW519.02 g/mol
LogP6.44
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide

N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 100766221) has the molecular formula C28H23ClN2O4S and a molecular weight of 519.02 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID100766221
Molecular FormulaC28H23ClN2O4S
Molecular Weight519.02 g/mol
Exact Mass518.11
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)ccc32)cc1
InChIInChI=1S/C28H23ClN2O4S/c1-19-7-11-24(12-8-19)36(33,34)31-16-15-20-17-21(9-13-26(20)31)28(32)30-25-18-22(29)10-14-27(25)35-23-5-3-2-4-6-23/h2-14,17-18H,15-16H2,1H3,(H,30,32)
InChIKeyMRVITEQTGXJFQJ-UHFFFAOYSA-N
XLogP6.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.02
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100770361
1-(4-chlorophenyl)sulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100765733
N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 16561917
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801358
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 46262940
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765297
1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100766585

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide (CID 100766221) is N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide is Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)ccc32)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is MRVITEQTGXJFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O4S/c1-19-7-11-24(12-8-19)36(33,34)31-16-15-20-17-21(9-13-26(20)31)28(32)30-25-18-22(29)10-14-27(25)35-23-5-3-2-4-6-23/h2-14,17-18H,15-16H2,1H3,(H,30,32).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide?
N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 519.02 g/mol, XLogP of 6.44, 6 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)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100766221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).