N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide

C16H15NO5S — CID 110751552

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NC1COc2ccccc2C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO5S/c18-23(19,13-5-6-15-16(8-13)22-10-21-15)17-12-7-11-3-1-2-4-14(11)20-9-12/h1-6,8,12,17H,7,9-10H2
InChIKeyDJIKDEUCGYRWKP-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.70
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide

N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110751552) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110751552
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NC1COc2ccccc2C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO5S/c18-23(19,13-5-6-15-16(8-13)22-10-21-15)17-12-7-11-3-1-2-4-14(11)20-9-12/h1-6,8,12,17H,7,9-10H2
InChIKeyDJIKDEUCGYRWKP-UHFFFAOYSA-N
XLogP1.70
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827
N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
3-bromo-N-(3,4-dihydro-2H-chromen-3-yl)-5-nitrobenzenesulfonamide
CID 86902082
2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 94064806
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 56796436
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
CID 94064800
N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120585680
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 126798915
3-chloro-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210040
1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide
CID 110751563

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide (CID 110751552) is N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NC1COc2ccccc2C1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is DJIKDEUCGYRWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c18-23(19,13-5-6-15-16(8-13)22-10-21-15)17-12-7-11-3-1-2-4-14(11)20-9-12/h1-6,8,12,17H,7,9-10H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide?
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110751552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).