N-butyl-2-(furan-2-yl)benzenesulfonamide

C14H17NO3S — CID 168525566

IUPACN-butyl-2-(furan-2-yl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1-c1ccco1
InChIInChI=1S/C14H17NO3S/c1-2-3-10-15-19(16,17)14-9-5-4-7-12(14)13-8-6-11-18-13/h4-9,11,15H,2-3,10H2,1H3
InChIKeyGKMOPPJDZZVOQI-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.03
Rot. Bonds6

About N-butyl-2-(furan-2-yl)benzenesulfonamide

N-butyl-2-(furan-2-yl)benzenesulfonamide (PubChem CID 168525566) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-butyl-2-(furan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-(furan-2-yl)benzenesulfonamide
PubChem CID168525566
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-butyl-2-(furan-2-yl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1-c1ccco1
InChIInChI=1S/C14H17NO3S/c1-2-3-10-15-19(16,17)14-9-5-4-7-12(14)13-8-6-11-18-13/h4-9,11,15H,2-3,10H2,1H3
InChIKeyGKMOPPJDZZVOQI-UHFFFAOYSA-N
XLogP3.03
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentylfuran-2-sulfonamide
CID 21064582
N-butyl-2-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168516960
N-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide
CID 174330760
N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217
2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide
CID 70083463
N-butylquinoline-8-sulfonamide
CID 2068304
N-butyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3377484
N-tridecylbenzenesulfonamide
CID 3514704

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(furan-2-yl)benzenesulfonamide?
The IUPAC name of N-butyl-2-(furan-2-yl)benzenesulfonamide (CID 168525566) is N-butyl-2-(furan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-butyl-2-(furan-2-yl)benzenesulfonamide?
The canonical SMILES for N-butyl-2-(furan-2-yl)benzenesulfonamide is CCCCNS(=O)(=O)c1ccccc1-c1ccco1.
What is the InChIKey of N-butyl-2-(furan-2-yl)benzenesulfonamide?
The InChIKey is GKMOPPJDZZVOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-2-3-10-15-19(16,17)14-9-5-4-7-12(14)13-8-6-11-18-13/h4-9,11,15H,2-3,10H2,1H3.
What are the key properties of N-butyl-2-(furan-2-yl)benzenesulfonamide?
N-butyl-2-(furan-2-yl)benzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(furan-2-yl)benzenesulfonamide is sourced from PubChem (CID 168525566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).