N-[4-(aminomethyl)phenyl]ethanesulfonamide

C9H14N2O2S — CID 10892792

IUPACN-[4-(aminomethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C9H14N2O2S/c1-2-14(12,13)11-9-5-3-8(7-10)4-6-9/h3-6,11H,2,7,10H2,1H3
InChIKeySYKNCGJSUHCGRW-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.91
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]ethanesulfonamide

N-[4-(aminomethyl)phenyl]ethanesulfonamide (PubChem CID 10892792) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]ethanesulfonamide
PubChem CID10892792
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[4-(aminomethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C9H14N2O2S/c1-2-14(12,13)11-9-5-3-8(7-10)4-6-9/h3-6,11H,2,7,10H2,1H3
InChIKeySYKNCGJSUHCGRW-UHFFFAOYSA-N
XLogP0.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]ethanesulfonamide (CID 10892792) is N-[4-(aminomethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]ethanesulfonamide?
The InChIKey is SYKNCGJSUHCGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-14(12,13)11-9-5-3-8(7-10)4-6-9/h3-6,11H,2,7,10H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]ethanesulfonamide?
N-[4-(aminomethyl)phenyl]ethanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 10892792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).