N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide

C14H18N2O5S2 — CID 110345911

IUPACN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCS(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H18N2O5S2/c1-12-4-6-14(7-5-12)23(19,20)15-8-10-22(17,18)16-11-13-3-2-9-21-13/h2-7,9,15-16H,8,10-11H2,1H3
InChIKeyKSTODOSMQHKTKJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.99
Rot. Bonds8

About N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide

N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 110345911) has the molecular formula C14H18N2O5S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID110345911
Molecular FormulaC14H18N2O5S2
Molecular Weight358.44 g/mol
Exact Mass358.07
IUPAC NameN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCS(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H18N2O5S2/c1-12-4-6-14(7-5-12)23(19,20)15-8-10-22(17,18)16-11-13-3-2-9-21-13/h2-7,9,15-16H,8,10-11H2,1H3
InChIKeyKSTODOSMQHKTKJ-UHFFFAOYSA-N
XLogP0.99
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110345927
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide
CID 110345848
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 4968582
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925134
1-(3,5-dimethylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 25039568
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-propylprop-2-enamide
CID 35743980

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide (CID 110345911) is N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is KSTODOSMQHKTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S2/c1-12-4-6-14(7-5-12)23(19,20)15-8-10-22(17,18)16-11-13-3-2-9-21-13/h2-7,9,15-16H,8,10-11H2,1H3.
What are the key properties of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 358.44 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110345911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).