5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide

C17H14ClFN2O3S — CID 10271170

IUPAC5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)c(F)c23)c1
InChIInChI=1S/C17H14ClFN2O3S/c1-8-5-9(2)7-10(6-8)25(23,24)16-13-12(21-15(16)17(20)22)4-3-11(18)14(13)19/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyIQHOGIMNAWJGAN-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.51
Rot. Bonds3

About 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide (PubChem CID 10271170) has the molecular formula C17H14ClFN2O3S and a molecular weight of 380.83 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
PubChem CID10271170
Molecular FormulaC17H14ClFN2O3S
Molecular Weight380.83 g/mol
Exact Mass380.04
IUPAC Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)c(F)c23)c1
InChIInChI=1S/C17H14ClFN2O3S/c1-8-5-9(2)7-10(6-8)25(23,24)16-13-12(21-15(16)17(20)22)4-3-11(18)14(13)19/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyIQHOGIMNAWJGAN-UHFFFAOYSA-N
XLogP3.51
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide (CID 10271170) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)c(F)c23)c1.
What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is IQHOGIMNAWJGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3S/c1-8-5-9(2)7-10(6-8)25(23,24)16-13-12(21-15(16)17(20)22)4-3-11(18)14(13)19/h3-7,21H,1-2H3,(H2,20,22).
What are the key properties of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide?
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 10271170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).