N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

C12H13NO3S — CID 641766

IUPACN-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C12H13NO3S/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-8,13H,9H2,1H3
InChIKeyPYQWNUKIIGGUSD-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.07
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 641766) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID641766
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C12H13NO3S/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-8,13H,9H2,1H3
InChIKeyPYQWNUKIIGGUSD-UHFFFAOYSA-N
XLogP2.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
N-(furan-2-ylmethyl)naphthalene-2-sulfonamide
CID 683661
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 2800757
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
(2-Amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401241
N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182
2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide
CID 3804100
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
3-(2-Furyl)-3-{[(4-methylphenyl)sulfonyl]amino}propanoic acid
CID 3238958
N-(2-furylmethyl)-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide
CID 3239602
4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60594905
(2E)-3-(4-{[(furan-2-yl)methyl]sulfamoyl}phenyl)prop-2-enoic acid
CID 779298

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (CID 641766) is N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is PYQWNUKIIGGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-8,13H,9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 641766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).