N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide

C26H22N2O3S — CID 16834808

IUPACN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C26H22N2O3S/c29-26(24-14-6-9-19-8-4-5-13-23(19)24)27-21-15-16-25-20(18-21)10-7-17-28(25)32(30,31)22-11-2-1-3-12-22/h1-6,8-9,11-16,18H,7,10,17H2,(H,27,29)
InChIKeyBACJOSVESBLEHV-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.23
Rot. Bonds4

About N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide (PubChem CID 16834808) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide
PubChem CID16834808
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C26H22N2O3S/c29-26(24-14-6-9-19-8-4-5-13-23(19)24)27-21-15-16-25-20(18-21)10-7-17-28(25)32(30,31)22-11-2-1-3-12-22/h1-6,8-9,11-16,18H,7,10,17H2,(H,27,29)
InChIKeyBACJOSVESBLEHV-UHFFFAOYSA-N
XLogP5.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea
CID 30374124
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chloro-2,2-dimethylpropanamide
CID 7657700
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide
CID 7517742
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-chloro-4-nitrobenzamide
CID 16825756
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-butoxybenzamide
CID 27621749
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide
CID 18565104
2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzamide
CID 27537420
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-carboxamide
CID 16835101
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide (CID 16834808) is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide is O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide?
The InChIKey is BACJOSVESBLEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c29-26(24-14-6-9-19-8-4-5-13-23(19)24)27-21-15-16-25-20(18-21)10-7-17-28(25)32(30,31)22-11-2-1-3-12-22/h1-6,8-9,11-16,18H,7,10,17H2,(H,27,29).
What are the key properties of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide?
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 16834808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).