3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide

C19H19BrClN3O3S — CID 55914989

IUPAC3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c3ccccc3c2Br)ccc1Cl
InChIInChI=1S/C19H19BrClN3O3S/c1-3-24(4-2)28(26,27)16-11-12(9-10-14(16)21)22-19(25)18-17(20)13-7-5-6-8-15(13)23-18/h5-11,23H,3-4H2,1-2H3,(H,22,25)
InChIKeyIJRZQMWEWJLMPU-UHFFFAOYSA-N
MW484.80 g/mol
LogP4.87
Rot. Bonds6

About 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide

3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 55914989) has the molecular formula C19H19BrClN3O3S and a molecular weight of 484.80 g/mol. Its IUPAC name is 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
PubChem CID55914989
Molecular FormulaC19H19BrClN3O3S
Molecular Weight484.80 g/mol
Exact Mass483.00
IUPAC Name3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c3ccccc3c2Br)ccc1Cl
InChIInChI=1S/C19H19BrClN3O3S/c1-3-24(4-2)28(26,27)16-11-12(9-10-14(16)21)22-19(25)18-17(20)13-7-5-6-8-15(13)23-18/h5-11,23H,3-4H2,1-2H3,(H,22,25)
InChIKeyIJRZQMWEWJLMPU-UHFFFAOYSA-N
XLogP4.87
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.80
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide (CID 55914989) is 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c3ccccc3c2Br)ccc1Cl.
What is the InChIKey of 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is IJRZQMWEWJLMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O3S/c1-3-24(4-2)28(26,27)16-11-12(9-10-14(16)21)22-19(25)18-17(20)13-7-5-6-8-15(13)23-18/h5-11,23H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 484.80 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55914989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).