N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide

C23H19Cl2N3O3S — CID 22663258

IUPACN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide
SMILESCc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C23H19Cl2N3O3S/c1-14-12-28(13-15-3-6-17(7-4-15)32(2,30)31)21-9-16(5-8-18(14)21)23(29)27-22-19(24)10-26-11-20(22)25/h3-12H,13H2,1-2H3,(H,26,27,29)
InChIKeyMMUMOZBVLCNXNZ-UHFFFAOYSA-N
MW488.40 g/mol
LogP5.36
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide

N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide (PubChem CID 22663258) has the molecular formula C23H19Cl2N3O3S and a molecular weight of 488.40 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide
PubChem CID22663258
Molecular FormulaC23H19Cl2N3O3S
Molecular Weight488.40 g/mol
Exact Mass487.05
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide
SMILESCc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C23H19Cl2N3O3S/c1-14-12-28(13-15-3-6-17(7-4-15)32(2,30)31)21-9-16(5-8-18(14)21)23(29)27-22-19(24)10-26-11-20(22)25/h3-12H,13H2,1-2H3,(H,26,27,29)
InChIKeyMMUMOZBVLCNXNZ-UHFFFAOYSA-N
XLogP5.36
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 10094201
N-(3,5-dichloropyridin-4-yl)-3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzamide
CID 21865620
1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 22663341
1-[(4-carbamoylphenyl)methyl]-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 44298227
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(2-phenylethyl)indole-6-carboxamide
CID 44298485
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide
CID 10456942
cis-3-chloro-N-(2-((4-(2-oxopyridin-1(2H)-yl)phenylsulfonyl)methyl)cyclohexyl)-1H-indole-6-carboxamide
CID 11466604
1-(cyclohexylmethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 12088732
N-(3,5-dichloro-4-pyridinyl)-1-heptyl-3-methylindole-6-carboxamide
CID 12088733
1-benzyl-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 12088734
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-6-carboxamide
CID 12088738
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1H-indole-6-carboxamide
CID 22663193

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide (CID 22663258) is N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide is Cc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide?
The InChIKey is MMUMOZBVLCNXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3S/c1-14-12-28(13-15-3-6-17(7-4-15)32(2,30)31)21-9-16(5-8-18(14)21)23(29)27-22-19(24)10-26-11-20(22)25/h3-12H,13H2,1-2H3,(H,26,27,29).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide has a molecular weight of 488.40 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide is sourced from PubChem (CID 22663258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).