N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide

C16H16ClNO3S — CID 108783097

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOc3ccc(Cl)cc32)cc1
InChIInChI=1S/C16H16ClNO3S/c1-11-2-5-13(6-3-11)22(19,20)18-15-8-9-21-16-7-4-12(17)10-14(15)16/h2-7,10,15,18H,8-9H2,1H3
InChIKeyQTZXDJUNOZHUHA-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.45
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide (PubChem CID 108783097) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
PubChem CID108783097
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOc3ccc(Cl)cc32)cc1
InChIInChI=1S/C16H16ClNO3S/c1-11-2-5-13(6-3-11)22(19,20)18-15-8-9-21-16-7-4-12(17)10-14(15)16/h2-7,10,15,18H,8-9H2,1H3
InChIKeyQTZXDJUNOZHUHA-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)sulfamoyl]phenyl]acetamide
CID 108781692
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108783100
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
CID 108781699
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 110751334
2-methoxy-4,5-dimethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
CID 108781694
2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid
CID 19840494
(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
CID 155789629
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
CID 34042955

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide (CID 108783097) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCOc3ccc(Cl)cc32)cc1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is QTZXDJUNOZHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-11-2-5-13(6-3-11)22(19,20)18-15-8-9-21-16-7-4-12(17)10-14(15)16/h2-7,10,15,18H,8-9H2,1H3.
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 337.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 108783097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).