6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide

C14H20ClN3O3S — CID 122135848

IUPAC6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)NS(=O)(=O)CCNC(=O)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3O3S/c1-10(2)17-22(20,21)8-6-16-14(19)18-7-5-11-3-4-12(15)9-13(11)18/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,19)
InChIKeyYJXYFCMJCFLRMD-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.74
Rot. Bonds5

About 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide

6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 122135848) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide
PubChem CID122135848
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)NS(=O)(=O)CCNC(=O)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3O3S/c1-10(2)17-22(20,21)8-6-16-14(19)18-7-5-11-3-4-12(15)9-13(11)18/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,19)
InChIKeyYJXYFCMJCFLRMD-UHFFFAOYSA-N
XLogP1.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 122018695
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
6-chloro-2,3-dihydroindole-1-carbonyl chloride
CID 139548954
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382414
6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide
CID 86886424
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102502
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 75357606
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058977

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide (CID 122135848) is 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide is CC(C)NS(=O)(=O)CCNC(=O)N1CCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is YJXYFCMJCFLRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-10(2)17-22(20,21)8-6-16-14(19)18-7-5-11-3-4-12(15)9-13(11)18/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,19).
What are the key properties of 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide?
6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 345.85 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(propan-2-ylsulfamoyl)ethyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 122135848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).