1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C18H26N2O3S — CID 3453929

IUPAC1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC3CCCCCC3)ccc21
InChIInChI=1S/C18H26N2O3S/c1-14(21)20-12-6-7-15-13-17(10-11-18(15)20)24(22,23)19-16-8-4-2-3-5-9-16/h10-11,13,16,19H,2-9,12H2,1H3
InChIKeyZXBYQLDSUWYHAC-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.99
Rot. Bonds3

About 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 3453929) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID3453929
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC3CCCCCC3)ccc21
InChIInChI=1S/C18H26N2O3S/c1-14(21)20-12-6-7-15-13-17(10-11-18(15)20)24(22,23)19-16-8-4-2-3-5-9-16/h10-11,13,16,19H,2-9,12H2,1H3
InChIKeyZXBYQLDSUWYHAC-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
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
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361613
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
4-acetyl-N-cycloheptyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 126457873
1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964163
1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide
CID 110868865
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 3453929) is 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NC3CCCCCC3)ccc21.
What is the InChIKey of 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is ZXBYQLDSUWYHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14(21)20-12-6-7-15-13-17(10-11-18(15)20)24(22,23)19-16-8-4-2-3-5-9-16/h10-11,13,16,19H,2-9,12H2,1H3.
What are the key properties of 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 350.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 3453929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).