N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide

C16H21NO3S — CID 19583554

IUPACN-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)CCc2ccco2)cc1
InChIInChI=1S/C16H21NO3S/c1-13-6-10-16(11-7-13)21(18,19)17(3)14(2)8-9-15-5-4-12-20-15/h4-7,10-12,14H,8-9H2,1-3H3
InChIKeyMWFYFIPNEZOVNF-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.23
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide

N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide (PubChem CID 19583554) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide
PubChem CID19583554
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)CCc2ccco2)cc1
InChIInChI=1S/C16H21NO3S/c1-13-6-10-16(11-7-13)21(18,19)17(3)14(2)8-9-15-5-4-12-20-15/h4-7,10-12,14H,8-9H2,1-3H3
InChIKeyMWFYFIPNEZOVNF-UHFFFAOYSA-N
XLogP3.23
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide (CID 19583554) is N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(C)CCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is MWFYFIPNEZOVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-13-6-10-16(11-7-13)21(18,19)17(3)14(2)8-9-15-5-4-12-20-15/h4-7,10-12,14H,8-9H2,1-3H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide?
N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 19583554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).