4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide

C17H16ClNO4S — CID 18193131

IUPAC4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)NC2CCOc3ccccc32)ccc1Cl
InChIInChI=1S/C17H16ClNO4S/c1-24(21,22)16-10-11(6-7-13(16)18)17(20)19-14-8-9-23-15-5-3-2-4-12(14)15/h2-7,10,14H,8-9H2,1H3,(H,19,20)
InChIKeyCHOFVXBSRPDMND-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.00
Rot. Bonds3

About 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide

4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide (PubChem CID 18193131) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
PubChem CID18193131
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC Name4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)NC2CCOc3ccccc32)ccc1Cl
InChIInChI=1S/C17H16ClNO4S/c1-24(21,22)16-10-11(6-7-13(16)18)17(20)19-14-8-9-23-15-5-3-2-4-12(14)15/h2-7,10,14H,8-9H2,1H3,(H,19,20)
InChIKeyCHOFVXBSRPDMND-UHFFFAOYSA-N
XLogP3.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 17445598
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058773
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 39958855
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide (CID 18193131) is 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)NC2CCOc3ccccc32)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide?
The InChIKey is CHOFVXBSRPDMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c1-24(21,22)16-10-11(6-7-13(16)18)17(20)19-14-8-9-23-15-5-3-2-4-12(14)15/h2-7,10,14H,8-9H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide?
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide has a molecular weight of 365.84 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 18193131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).