4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

C15H20N2O3S — CID 106996772

IUPAC4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc(CN)cc1C
InChIInChI=1S/C15H20N2O3S/c1-3-17(11-14-5-4-8-20-14)21(18,19)15-7-6-13(10-16)9-12(15)2/h4-9H,3,10-11,16H2,1-2H3
InChIKeyNEPWRKYBCRVWSB-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.26
Rot. Bonds6

About 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (PubChem CID 106996772) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
PubChem CID106996772
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc(CN)cc1C
InChIInChI=1S/C15H20N2O3S/c1-3-17(11-14-5-4-8-20-14)21(18,19)15-7-6-13(10-16)9-12(15)2/h4-9H,3,10-11,16H2,1-2H3
InChIKeyNEPWRKYBCRVWSB-UHFFFAOYSA-N
XLogP2.26
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106996804
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107398229
3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
CID 61105127
4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 116529898
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
CID 106996606
N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 2563703

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (CID 106996772) is 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1ccc(CN)cc1C.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The InChIKey is NEPWRKYBCRVWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-17(11-14-5-4-8-20-14)21(18,19)15-7-6-13(10-16)9-12(15)2/h4-9H,3,10-11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).