1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide

C16H21ClN2O3S — CID 118906205

IUPAC1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)(=O)NC3CCCCC3)cc21
InChIInChI=1S/C16H21ClN2O3S/c1-11(20)19-8-7-12-9-14(17)16(10-15(12)19)23(21,22)18-13-5-3-2-4-6-13/h9-10,13,18H,2-8H2,1H3
InChIKeyFJYZLAGRWVRBEE-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.86
Rot. Bonds3

About 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide

1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 118906205) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
PubChem CID118906205
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)(=O)NC3CCCCC3)cc21
InChIInChI=1S/C16H21ClN2O3S/c1-11(20)19-8-7-12-9-14(17)16(10-15(12)19)23(21,22)18-13-5-3-2-4-6-13/h9-10,13,18H,2-8H2,1H3
InChIKeyFJYZLAGRWVRBEE-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550876
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
CID 118906031
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide
CID 118906147
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 42922299
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-acetyl-2,3-dihydroindole-5-sulfonamide
CID 17487399
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
CID 46504145
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide (CID 118906205) is 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2cc(Cl)c(S(=O)(=O)NC3CCCCC3)cc21.
What is the InChIKey of 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is FJYZLAGRWVRBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-11(20)19-8-7-12-9-14(17)16(10-15(12)19)23(21,22)18-13-5-3-2-4-6-13/h9-10,13,18H,2-8H2,1H3.
What are the key properties of 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 356.88 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 118906205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).