N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide

C17H15Cl2NO4S — CID 60571835

IUPACN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NC1CCOc2c(Cl)cccc21
InChIInChI=1S/C17H15Cl2NO4S/c18-11-4-6-12(7-5-11)25(22,23)10-16(21)20-15-8-9-24-17-13(15)2-1-3-14(17)19/h1-7,15H,8-10H2,(H,20,21)
InChIKeyPFNUNCIKKISYAU-UHFFFAOYSA-N
MW400.28 g/mol
LogP3.41
Rot. Bonds4

About N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide (PubChem CID 60571835) has the molecular formula C17H15Cl2NO4S and a molecular weight of 400.28 g/mol. Its IUPAC name is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide
PubChem CID60571835
Molecular FormulaC17H15Cl2NO4S
Molecular Weight400.28 g/mol
Exact Mass399.01
IUPAC NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NC1CCOc2c(Cl)cccc21
InChIInChI=1S/C17H15Cl2NO4S/c18-11-4-6-12(7-5-11)25(22,23)10-16(21)20-15-8-9-24-17-13(15)2-1-3-14(17)19/h1-7,15H,8-10H2,(H,20,21)
InChIKeyPFNUNCIKKISYAU-UHFFFAOYSA-N
XLogP3.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(ethylsulfonylamino)acetamide
CID 124588113
3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 18193013
3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride
CID 119950489
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 119301911
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
CID 119746250
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 60572091
(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide
CID 94809553
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3,5-dinitrobenzamide
CID 60572063
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylazetidine-3-carboxamide
CID 128874525
2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide
CID 119746258

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide (CID 60571835) is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC1CCOc2c(Cl)cccc21.
What is the InChIKey of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is PFNUNCIKKISYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4S/c18-11-4-6-12(7-5-11)25(22,23)10-16(21)20-15-8-9-24-17-13(15)2-1-3-14(17)19/h1-7,15H,8-10H2,(H,20,21).
What are the key properties of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide?
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 400.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 60571835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).