4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide

C15H18N2O3S — CID 935117

IUPAC4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide
SMILESCCOc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,18)19/h3-10,17H,2,11H2,1H3,(H2,16,18,19)
InChIKeyKXHJZLAEMRCLQK-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.34
Rot. Bonds6

About 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide

4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 935117) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide
PubChem CID935117
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide
SMILESCCOc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,18)19/h3-10,17H,2,11H2,1H3,(H2,16,18,19)
InChIKeyKXHJZLAEMRCLQK-UHFFFAOYSA-N
XLogP2.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide (CID 935117) is 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide is CCOc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is KXHJZLAEMRCLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-20-14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,18)19/h3-10,17H,2,11H2,1H3,(H2,16,18,19).
What are the key properties of 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide?
4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 935117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).