N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide

C17H19NO3S — CID 110751242

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)C1CCOc2ccccc21
InChIInChI=1S/C17H19NO3S/c1-13-7-3-6-10-17(13)22(19,20)18(2)15-11-12-21-16-9-5-4-8-14(15)16/h3-10,15H,11-12H2,1-2H3
InChIKeyLMVPWMKAPDRIMV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.14
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide

N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide (PubChem CID 110751242) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide
PubChem CID110751242
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)C1CCOc2ccccc21
InChIInChI=1S/C17H19NO3S/c1-13-7-3-6-10-17(13)22(19,20)18(2)15-11-12-21-16-9-5-4-8-14(15)16/h3-10,15H,11-12H2,1-2H3
InChIKeyLMVPWMKAPDRIMV-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110751222
N-(3,4-dihydro-2H-chromen-4-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110751240
N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 134794851
N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57398675
N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 134791910
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[2-(dimethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111598017
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,2-dimethylpropyl)-1-methylurea
CID 110750879
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
CID 110750876

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide (CID 110751242) is N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)C1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is LMVPWMKAPDRIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-7-3-6-10-17(13)22(19,20)18(2)15-11-12-21-16-9-5-4-8-14(15)16/h3-10,15H,11-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide?
N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 110751242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).