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

C23H21ClFN3O3S — CID 10162460

IUPAC5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCCn3cccc3)[nH]c3ccc(Cl)c(F)c23)c1
InChIInChI=1S/C23H21ClFN3O3S/c1-14-11-15(2)13-16(12-14)32(30,31)22-19-18(6-5-17(24)20(19)25)27-21(22)23(29)26-7-10-28-8-3-4-9-28/h3-6,8-9,11-13,27H,7,10H2,1-2H3,(H,26,29)
InChIKeyDZAUZGQGZFBFOY-UHFFFAOYSA-N
MW473.96 g/mol
LogP4.64
Rot. Bonds6

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

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide (PubChem CID 10162460) has the molecular formula C23H21ClFN3O3S and a molecular weight of 473.96 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide
PubChem CID10162460
Molecular FormulaC23H21ClFN3O3S
Molecular Weight473.96 g/mol
Exact Mass473.10
IUPAC Name5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCCn3cccc3)[nH]c3ccc(Cl)c(F)c23)c1
InChIInChI=1S/C23H21ClFN3O3S/c1-14-11-15(2)13-16(12-14)32(30,31)22-19-18(6-5-17(24)20(19)25)27-21(22)23(29)26-7-10-28-8-3-4-9-28/h3-6,8-9,11-13,27H,7,10H2,1-2H3,(H,26,29)
InChIKeyDZAUZGQGZFBFOY-UHFFFAOYSA-N
XLogP4.64
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide (CID 10162460) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCCn3cccc3)[nH]c3ccc(Cl)c(F)c23)c1.
What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is DZAUZGQGZFBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O3S/c1-14-11-15(2)13-16(12-14)32(30,31)22-19-18(6-5-17(24)20(19)25)27-21(22)23(29)26-7-10-28-8-3-4-9-28/h3-6,8-9,11-13,27H,7,10H2,1-2H3,(H,26,29).
What are the key properties of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide?
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 473.96 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 10162460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).