1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide

C16H16ClNO3S — CID 110751563

IUPAC1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NC1COc2ccccc2C1
InChIInChI=1S/C16H16ClNO3S/c17-15-7-3-1-6-13(15)11-22(19,20)18-14-9-12-5-2-4-8-16(12)21-10-14/h1-8,14,18H,9-11H2
InChIKeyWFWPEOJUFDVJKH-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.76
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide

1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide (PubChem CID 110751563) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide
PubChem CID110751563
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NC1COc2ccccc2C1
InChIInChI=1S/C16H16ClNO3S/c17-15-7-3-1-6-13(15)11-22(19,20)18-14-9-12-5-2-4-8-16(12)21-10-14/h1-8,14,18H,9-11H2
InChIKeyWFWPEOJUFDVJKH-UHFFFAOYSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 94064806
N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 110751562
N-(3,4-dihydro-2H-chromen-3-yl)-2-phenylethanesulfonamide
CID 110751566
N-(3,4-dihydro-2H-chromen-3-yl)-1-(1,1-dioxothietan-3-yl)methanesulfonamide
CID 136561857
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 107308167
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
CID 94064800
5-bromo-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methyltriazole-4-sulfonamide
CID 99796874
N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide (CID 110751563) is 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NC1COc2ccccc2C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide?
The InChIKey is WFWPEOJUFDVJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-15-7-3-1-6-13(15)11-22(19,20)18-14-9-12-5-2-4-8-16(12)21-10-14/h1-8,14,18H,9-11H2.
What are the key properties of 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide?
1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide has a molecular weight of 337.83 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide is sourced from PubChem (CID 110751563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).