N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide

C11H15N3O4S — CID 110291960

IUPACN,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H15N3O4S/c1-12(2)19(17,18)13-7-3-4-9-5-6-10(14(15)16)8-11(9)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYDFNODMVEZWZEG-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.15
Rot. Bonds3

About N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide

N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 110291960) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID110291960
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC NameN,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H15N3O4S/c1-12(2)19(17,18)13-7-3-4-9-5-6-10(14(15)16)8-11(9)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYDFNODMVEZWZEG-UHFFFAOYSA-N
XLogP1.15
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 110291960) is N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide is CN(C)S(=O)(=O)N1CCCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is YDFNODMVEZWZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-12(2)19(17,18)13-7-3-4-9-5-6-10(14(15)16)8-11(9)13/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide?
N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 285.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 110291960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).