N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide

C18H20N2O4S2 — CID 645771

IUPACN-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O4S2/c21-25(22,19-15-7-8-15)16-9-11-17(12-10-16)26(23,24)20-13-3-5-14-4-1-2-6-18(14)20/h1-2,4,6,9-12,15,19H,3,5,7-8,13H2
InChIKeyNDSGBWBSYKPKKT-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.27
Rot. Bonds5

About N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide

N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide (PubChem CID 645771) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
PubChem CID645771
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC NameN-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O4S2/c21-25(22,19-15-7-8-15)16-9-11-17(12-10-16)26(23,24)20-13-3-5-14-4-1-2-6-18(14)20/h1-2,4,6,9-12,15,19H,3,5,7-8,13H2
InChIKeyNDSGBWBSYKPKKT-UHFFFAOYSA-N
XLogP2.27
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide (CID 645771) is N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide?
The InChIKey is NDSGBWBSYKPKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c21-25(22,19-15-7-8-15)16-9-11-17(12-10-16)26(23,24)20-13-3-5-14-4-1-2-6-18(14)20/h1-2,4,6,9-12,15,19H,3,5,7-8,13H2.
What are the key properties of N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide?
N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 645771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).