N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide

C19H17NO5S — CID 134950960

IUPACN-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCO3)c2ccco2)cc1
InChIInChI=1S/C19H17NO5S/c1-13-4-7-15(8-5-13)26(21,22)20-19(17-3-2-10-23-17)14-6-9-16-18(11-14)25-12-24-16/h2-11,19-20H,12H2,1H3/t19-/m0/s1
InChIKeyIJAXJLGVQLFAOR-IBGZPJMESA-N
MW371.41 g/mol
LogP3.38
Rot. Bonds5

About N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide

N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 134950960) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID134950960
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC NameN-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCO3)c2ccco2)cc1
InChIInChI=1S/C19H17NO5S/c1-13-4-7-15(8-5-13)26(21,22)20-19(17-3-2-10-23-17)14-6-9-16-18(11-14)25-12-24-16/h2-11,19-20H,12H2,1H3/t19-/m0/s1
InChIKeyIJAXJLGVQLFAOR-IBGZPJMESA-N
XLogP3.38
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
N-[(2S)-1,1-bis(1,3-benzodioxol-5-yl)-4-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 102467572
N-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-(6-bromo-2-pyridinyl)propyl]-4-methylbenzenesulfonamide
CID 102389637
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 55483478
benzyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 139746707
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9160400
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 27516973
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 129406222
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43001317
N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 15941469
(1R)-1-(furan-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 90212494

Frequently Asked Questions

What is the IUPAC name of N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide (CID 134950960) is N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCO3)c2ccco2)cc1.
What is the InChIKey of N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is IJAXJLGVQLFAOR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17NO5S/c1-13-4-7-15(8-5-13)26(21,22)20-19(17-3-2-10-23-17)14-6-9-16-18(11-14)25-12-24-16/h2-11,19-20H,12H2,1H3/t19-/m0/s1.
What are the key properties of N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 371.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134950960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).