5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide

C15H10Cl2N2O3S — CID 506869

IUPAC5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O3S/c16-8-1-4-10(5-2-8)23(21,22)14-11-7-9(17)3-6-12(11)19-13(14)15(18)20/h1-7,19H,(H2,18,20)
InChIKeyJWRVAQSHXHPOHJ-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.41
Rot. Bonds3

About 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide

5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide (PubChem CID 506869) has the molecular formula C15H10Cl2N2O3S and a molecular weight of 369.23 g/mol. Its IUPAC name is 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
PubChem CID506869
Molecular FormulaC15H10Cl2N2O3S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC Name5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O3S/c16-8-1-4-10(5-2-8)23(21,22)14-11-7-9(17)3-6-12(11)19-13(14)15(18)20/h1-7,19H,(H2,18,20)
InChIKeyJWRVAQSHXHPOHJ-UHFFFAOYSA-N
XLogP3.41
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide (CID 506869) is 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide?
The InChIKey is JWRVAQSHXHPOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3S/c16-8-1-4-10(5-2-8)23(21,22)14-11-7-9(17)3-6-12(11)19-13(14)15(18)20/h1-7,19H,(H2,18,20).
What are the key properties of 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide?
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide has a molecular weight of 369.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 506869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).