2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide

C16H16ClNO3S — CID 110709330

IUPAC2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c17-14-6-2-4-8-16(14)22(19,20)18-11-12-9-10-21-15-7-3-1-5-13(12)15/h1-8,12,18H,9-11H2
InChIKeyXBRKTSLIWXJYLE-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.18
Rot. Bonds4

About 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide

2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide (PubChem CID 110709330) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
PubChem CID110709330
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c17-14-6-2-4-8-16(14)22(19,20)18-11-12-9-10-21-15-7-3-1-5-13(12)15/h1-8,12,18H,9-11H2
InChIKeyXBRKTSLIWXJYLE-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920
4-(3,4-dihydro-2H-chromen-4-ylmethylsulfamoyl)benzoic acid
CID 110709324
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzenesulfonamide
CID 110751703
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 126795649
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylguanidine
CID 111835461
2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide
CID 75440507
2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66004603
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133293402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide (CID 110709330) is 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCOc2ccccc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide?
The InChIKey is XBRKTSLIWXJYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-14-6-2-4-8-16(14)22(19,20)18-11-12-9-10-21-15-7-3-1-5-13(12)15/h1-8,12,18H,9-11H2.
What are the key properties of 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide?
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide has a molecular weight of 337.83 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110709330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).