5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide

C17H14Cl2N2O3S — CID 510654

IUPAC5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3c(Cl)cc(Cl)cc23)c1
InChIInChI=1S/C17H14Cl2N2O3S/c1-8-3-9(2)5-11(4-8)25(23,24)16-12-6-10(18)7-13(19)14(12)21-15(16)17(20)22/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyJWDOZWKIUFPPSM-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.02
Rot. Bonds3

About 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide

5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (PubChem CID 510654) has the molecular formula C17H14Cl2N2O3S and a molecular weight of 397.28 g/mol. Its IUPAC name is 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
PubChem CID510654
Molecular FormulaC17H14Cl2N2O3S
Molecular Weight397.28 g/mol
Exact Mass396.01
IUPAC Name5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3c(Cl)cc(Cl)cc23)c1
InChIInChI=1S/C17H14Cl2N2O3S/c1-8-3-9(2)5-11(4-8)25(23,24)16-12-6-10(18)7-13(19)14(12)21-15(16)17(20)22/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyJWDOZWKIUFPPSM-UHFFFAOYSA-N
XLogP4.02
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (CID 510654) is 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3c(Cl)cc(Cl)cc23)c1.
What is the InChIKey of 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The InChIKey is JWDOZWKIUFPPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S/c1-8-3-9(2)5-11(4-8)25(23,24)16-12-6-10(18)7-13(19)14(12)21-15(16)17(20)22/h3-7,21H,1-2H3,(H2,20,22).
What are the key properties of 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 510654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).