N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide

C19H19N3O5S — CID 7517597

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21
InChIInChI=1S/C19H19N3O5S/c23-19(14-7-8-14)21-11-3-4-13-9-10-15(12-17(13)21)20-28(26,27)18-6-2-1-5-16(18)22(24)25/h1-2,5-6,9-10,12,14,20H,3-4,7-8,11H2
InChIKeyJUDNVOVPPVNLBY-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.08
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide (PubChem CID 7517597) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
PubChem CID7517597
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21
InChIInChI=1S/C19H19N3O5S/c23-19(14-7-8-14)21-11-3-4-13-9-10-15(12-17(13)21)20-28(26,27)18-6-2-1-5-16(18)22(24)25/h1-2,5-6,9-10,12,14,20H,3-4,7-8,11H2
InChIKeyJUDNVOVPPVNLBY-UHFFFAOYSA-N
XLogP3.08
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-nitrobenzenesulfonamide
CID 7517558
2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990163
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide
CID 154934391
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 43990523
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 154934397
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-5-nitrobenzenesulfonamide
CID 7498834
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 154934385
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide
CID 42388544
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 154934365
5-bromo-1-(cyclopropanecarbonyl)-N-(3-nitrophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46504966
2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448556
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,4,5-trimethylbenzenesulfonamide
CID 7498812

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide (CID 7517597) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide is O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide?
The InChIKey is JUDNVOVPPVNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c23-19(14-7-8-14)21-11-3-4-13-9-10-15(12-17(13)21)20-28(26,27)18-6-2-1-5-16(18)22(24)25/h1-2,5-6,9-10,12,14,20H,3-4,7-8,11H2.
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 7517597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).