2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide

C21H19ClN2O4S — CID 2401281

IUPAC2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C21H19ClN2O4S/c22-19-10-9-17(13-18(19)21(25)23-14-16-7-4-12-28-16)29(26,27)24-11-3-6-15-5-1-2-8-20(15)24/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,23,25)
InChIKeyUKFKLNPFXBKLFM-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.00
Rot. Bonds5

About 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 2401281) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID2401281
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C21H19ClN2O4S/c22-19-10-9-17(13-18(19)21(25)23-14-16-7-4-12-28-16)29(26,27)24-11-3-6-15-5-1-2-8-20(15)24/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,23,25)
InChIKeyUKFKLNPFXBKLFM-UHFFFAOYSA-N
XLogP4.00
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2704666
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3271562
4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3314293
3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 5206502
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 42601202
2,4-Dichloro-N-furan-2-ylmethyl-5-(morpholine-4-sulfonyl)-benzamide
CID 653205
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
3-{[(2-furylmethyl)amino]sulfonyl}-N-phenylbenzamide
CID 1368140
N-(2-furylmethyl)-N-methyl-N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]phenylalaninamide
CID 5308286
2-chloro-5-[(dimethylamino)sulfonyl]-N-(2-furylmethyl)benzamide
CID 891338
2-chloro-N-(2-furylmethyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1107138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide (CID 2401281) is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is UKFKLNPFXBKLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c22-19-10-9-17(13-18(19)21(25)23-14-16-7-4-12-28-16)29(26,27)24-11-3-6-15-5-1-2-8-20(15)24/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,23,25).
What are the key properties of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide?
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 430.91 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 2401281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).