3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide

C14H18N2O3S — CID 63085133

IUPAC3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(C)Cc1ccco1
InChIInChI=1S/C14H18N2O3S/c1-10-5-6-13(20(15,17)18)9-14(10)16-11(2)8-12-4-3-7-19-12/h3-7,9,11,16H,8H2,1-2H3,(H2,15,17,18)
InChIKeyYQGNCYUXGNXVHI-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.28
Rot. Bonds5

About 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide

3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide (PubChem CID 63085133) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
PubChem CID63085133
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(C)Cc1ccco1
InChIInChI=1S/C14H18N2O3S/c1-10-5-6-13(20(15,17)18)9-14(10)16-11(2)8-12-4-3-7-19-12/h3-7,9,11,16H,8H2,1-2H3,(H2,15,17,18)
InChIKeyYQGNCYUXGNXVHI-UHFFFAOYSA-N
XLogP2.28
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 63085665
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
3-(heptan-2-ylamino)-4-methylbenzenesulfonamide
CID 43744136
4-[1-(furan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 62709297
5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
CID 103286859
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide (CID 63085133) is 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NC(C)Cc1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide?
The InChIKey is YQGNCYUXGNXVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-5-6-13(20(15,17)18)9-14(10)16-11(2)8-12-4-3-7-19-12/h3-7,9,11,16H,8H2,1-2H3,(H2,15,17,18).
What are the key properties of 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide?
3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 63085133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).