6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide

C19H18Cl2N2O3S — CID 177140120

IUPAC6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccc(Cl)cc2n1C)c1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H18Cl2N2O3S/c1-11(15-7-6-14(10-16(15)21)27(3,25)26)22-19(24)18-8-12-4-5-13(20)9-17(12)23(18)2/h4-11H,1-3H3,(H,22,24)
InChIKeyAMDWMFCZIAECKV-UHFFFAOYSA-N
MW425.34 g/mol
LogP4.38
Rot. Bonds4

About 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide

6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide (PubChem CID 177140120) has the molecular formula C19H18Cl2N2O3S and a molecular weight of 425.34 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
PubChem CID177140120
Molecular FormulaC19H18Cl2N2O3S
Molecular Weight425.34 g/mol
Exact Mass424.04
IUPAC Name6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccc(Cl)cc2n1C)c1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H18Cl2N2O3S/c1-11(15-7-6-14(10-16(15)21)27(3,25)26)22-19(24)18-8-12-4-5-13(20)9-17(12)23(18)2/h4-11H,1-3H3,(H,22,24)
InChIKeyAMDWMFCZIAECKV-UHFFFAOYSA-N
XLogP4.38
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide
CID 177140331
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide
CID 177140163
6-chloro-N-[(1S)-1-[4-(cyanomethyl)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177140014
1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide
CID 177140188
6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177
N-[1-(6-aminosulfanyl-5-chloro-3-pyridinyl)ethyl]-6-chloro-1-methylindole-2-carboxamide;ethane
CID 177140289
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 39427736
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177139948
6-chloro-N-[1-(3-cyano-4-sulfinamoylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177139968

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide (CID 177140120) is 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide is CC(NC(=O)c1cc2ccc(Cl)cc2n1C)c1ccc(S(C)(=O)=O)cc1Cl.
What is the InChIKey of 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide?
The InChIKey is AMDWMFCZIAECKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3S/c1-11(15-7-6-14(10-16(15)21)27(3,25)26)22-19(24)18-8-12-4-5-13(20)9-17(12)23(18)2/h4-11H,1-3H3,(H,22,24).
What are the key properties of 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide?
6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide has a molecular weight of 425.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 177140120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).