N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide

C15H16N2O6S2 — CID 113093547

IUPACN-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide
SMILESCN(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C15H16N2O6S2/c1-17(24(2,18)19)13-6-4-3-5-12(13)16-25(20,21)11-7-8-14-15(9-11)23-10-22-14/h3-9,16H,10H2,1-2H3
InChIKeyGKTCLXAFQZAUOK-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.61
Rot. Bonds5

About N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide

N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 113093547) has the molecular formula C15H16N2O6S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID113093547
Molecular FormulaC15H16N2O6S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC NameN-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide
SMILESCN(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C15H16N2O6S2/c1-17(24(2,18)19)13-6-4-3-5-12(13)16-25(20,21)11-7-8-14-15(9-11)23-10-22-14/h3-9,16H,10H2,1-2H3
InChIKeyGKTCLXAFQZAUOK-UHFFFAOYSA-N
XLogP1.61
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113093539
4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113093542
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
N-(2H-benzotriazol-4-yl)-1,3-benzodioxole-5-sulfonamide
CID 110732214
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110287737
1-(1,3-benzodioxol-5-yl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 17374728
N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1090608
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334
N-[(2-methyl-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110782363

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide (CID 113093547) is N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide is CN(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCO2)S(C)(=O)=O.
What is the InChIKey of N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is GKTCLXAFQZAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S2/c1-17(24(2,18)19)13-6-4-3-5-12(13)16-25(20,21)11-7-8-14-15(9-11)23-10-22-14/h3-9,16H,10H2,1-2H3.
What are the key properties of N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide?
N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 384.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 113093547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).