N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide

C13H15NO3S2 — CID 49237525

IUPACN-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C13H15NO3S2/c1-14(10-11-4-3-9-17-11)19(15,16)13-7-5-12(18-2)6-8-13/h3-9H,10H2,1-2H3
InChIKeyULHXVCPZQBBOEW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.82
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide

N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 49237525) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
PubChem CID49237525
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C13H15NO3S2/c1-14(10-11-4-3-9-17-11)19(15,16)13-7-5-12(18-2)6-8-13/h3-9H,10H2,1-2H3
InChIKeyULHXVCPZQBBOEW-UHFFFAOYSA-N
XLogP2.82
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738
N-(furan-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43527164
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide (CID 49237525) is N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is ULHXVCPZQBBOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-14(10-11-4-3-9-17-11)19(15,16)13-7-5-12(18-2)6-8-13/h3-9H,10H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide?
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 49237525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).