N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide

C14H17NO3S — CID 15174179

IUPACN-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C14H17NO3S/c1-3-13(14-5-4-10-18-14)15-19(16,17)12-8-6-11(2)7-9-12/h4-10,13,15H,3H2,1-2H3
InChIKeyCOJPLPKDWOGZBB-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.02
Rot. Bonds5

About N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide

N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 15174179) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID15174179
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C14H17NO3S/c1-3-13(14-5-4-10-18-14)15-19(16,17)12-8-6-11(2)7-9-12/h4-10,13,15H,3H2,1-2H3
InChIKeyCOJPLPKDWOGZBB-UHFFFAOYSA-N
XLogP3.02
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide (CID 15174179) is N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide is CCC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is COJPLPKDWOGZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-3-13(14-5-4-10-18-14)15-19(16,17)12-8-6-11(2)7-9-12/h4-10,13,15H,3H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide?
N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15174179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).