3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide

C18H18ClNO4S — CID 18193013

IUPAC3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)NC1CCOc2ccccc21
InChIInChI=1S/C18H18ClNO4S/c19-13-5-7-14(8-6-13)25(22,23)12-10-18(21)20-16-9-11-24-17-4-2-1-3-15(16)17/h1-8,16H,9-12H2,(H,20,21)
InChIKeyVJYDQJBRRCPHDV-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.14
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide (PubChem CID 18193013) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
PubChem CID18193013
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)NC1CCOc2ccccc21
InChIInChI=1S/C18H18ClNO4S/c19-13-5-7-14(8-6-13)25(22,23)12-10-18(21)20-16-9-11-24-17-4-2-1-3-15(16)17/h1-8,16H,9-12H2,(H,20,21)
InChIKeyVJYDQJBRRCPHDV-UHFFFAOYSA-N
XLogP3.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)sulfonylethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119140818
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 92614646
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 60571835
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9245623
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 17455713
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-fluorophenyl)sulfonylethyl]guanidine;hydroiodide
CID 119164658

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide (CID 18193013) is 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NC1CCOc2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
The InChIKey is VJYDQJBRRCPHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c19-13-5-7-14(8-6-13)25(22,23)12-10-18(21)20-16-9-11-24-17-4-2-1-3-15(16)17/h1-8,16H,9-12H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide has a molecular weight of 379.87 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide is sourced from PubChem (CID 18193013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).