5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide

C15H18BrN3O3S — CID 15604617

IUPAC5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H18BrN3O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)20)23(21,22)19-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H2,17,20)
InChIKeyIIKXGXBKCIVJPG-UHFFFAOYSA-N
MW400.30 g/mol
LogP2.64
Rot. Bonds4

About 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide

5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide (PubChem CID 15604617) has the molecular formula C15H18BrN3O3S and a molecular weight of 400.30 g/mol. Its IUPAC name is 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide
PubChem CID15604617
Molecular FormulaC15H18BrN3O3S
Molecular Weight400.30 g/mol
Exact Mass399.03
IUPAC Name5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H18BrN3O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)20)23(21,22)19-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H2,17,20)
InChIKeyIIKXGXBKCIVJPG-UHFFFAOYSA-N
XLogP2.64
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-(Pyrrolidin-1-Ylsulfonyl)-1h-Indole-2-Carboxamide
CID 11984575
5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide
CID 15604873
1H-Indole-2-carboxamide, 3-(phenylsulfonyl)-
CID 506863
3-(2-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
CID 25093422
3-(3-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
CID 25093423
3-(4-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
CID 25093424
3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
CID 44574267
5-bromo-3-[(3,3-difluorocyclopentyl)sulfamoyl]-1H-indole-2-carboxamide
CID 44447110
5-bromo-3-(3,5-dimethylphenyl)sulfonyl-N-(2-sulfamoylethyl)-1H-indole-2-carboxamide
CID 44592425
1H-Indole-2-carboxamide, 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]-
CID 506876
(5-Bromo-1H-indol-2-yl)(2,3-dihydro-1H-indol-1-yl)methanone
CID 7693269
(5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 9923162

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide (CID 15604617) is 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide?
The InChIKey is IIKXGXBKCIVJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)20)23(21,22)19-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H2,17,20).
What are the key properties of 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide?
5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide has a molecular weight of 400.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 15604617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).