4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide

C14H18N2O3S — CID 43478817

IUPAC4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
SMILESCC(CCc1ccco1)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-11(4-7-13-3-2-10-19-13)16-12-5-8-14(9-6-12)20(15,17)18/h2-3,5-6,8-11,16H,4,7H2,1H3,(H2,15,17,18)
InChIKeyAGIAWYJIMKSTJK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.36
Rot. Bonds6

About 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide

4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide (PubChem CID 43478817) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
PubChem CID43478817
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
SMILESCC(CCc1ccco1)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-11(4-7-13-3-2-10-19-13)16-12-5-8-14(9-6-12)20(15,17)18/h2-3,5-6,8-11,16H,4,7H2,1H3,(H2,15,17,18)
InChIKeyAGIAWYJIMKSTJK-UHFFFAOYSA-N
XLogP2.36
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
2-bromo-4-[4-(furan-2-yl)butan-2-ylamino]benzenecarbothioamide
CID 107277559
4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
N-[4-(furan-2-yl)butan-2-yl]-3-methoxy-4-nitroaniline
CID 63670300
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 65482008
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
CID 103902199

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide?
The IUPAC name of 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide (CID 43478817) is 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide.
What is the SMILES notation for 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide?
The canonical SMILES for 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide is CC(CCc1ccco1)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide?
The InChIKey is AGIAWYJIMKSTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11(4-7-13-3-2-10-19-13)16-12-5-8-14(9-6-12)20(15,17)18/h2-3,5-6,8-11,16H,4,7H2,1H3,(H2,15,17,18).
What are the key properties of 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide?
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide is sourced from PubChem (CID 43478817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).