1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide

C18H27N3O3S — CID 119994113

IUPAC1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2
InChIInChI=1S/C18H27N3O3S/c1-3-11-21(16-6-9-19-10-7-16)25(23,24)17-5-4-15-8-12-20(14(2)22)18(15)13-17/h4-5,13,16,19H,3,6-12H2,1-2H3
InChIKeySXSQLANLDDIAFJ-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.75
Rot. Bonds5

About 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide

1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 119994113) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide
PubChem CID119994113
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2
InChIInChI=1S/C18H27N3O3S/c1-3-11-21(16-6-9-19-10-7-16)25(23,24)17-5-4-15-8-12-20(14(2)22)18(15)13-17/h4-5,13,16,19H,3,6-12H2,1-2H3
InChIKeySXSQLANLDDIAFJ-UHFFFAOYSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide
CID 119966047
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119994184
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531299
3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993908
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide (CID 119994113) is 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2.
What is the InChIKey of 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is SXSQLANLDDIAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-3-11-21(16-6-9-19-10-7-16)25(23,24)17-5-4-15-8-12-20(14(2)22)18(15)13-17/h4-5,13,16,19H,3,6-12H2,1-2H3.
What are the key properties of 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide?
1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 119994113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).