5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide

C15H18N2O3S — CID 18409158

IUPAC5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide
SMILESNCCc1ccc(OCc2ccccc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H18N2O3S/c16-9-8-12-6-7-14(15(10-12)21(17,18)19)20-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11,16H2,(H2,17,18,19)
InChIKeyDDRDTUWQVKRSKT-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.41
Rot. Bonds6

About 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide

5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide (PubChem CID 18409158) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide
PubChem CID18409158
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide
SMILESNCCc1ccc(OCc2ccccc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H18N2O3S/c16-9-8-12-6-7-14(15(10-12)21(17,18)19)20-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11,16H2,(H2,17,18,19)
InChIKeyDDRDTUWQVKRSKT-UHFFFAOYSA-N
XLogP1.41
TPSA95.41 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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-2-[2-(trifluoromethoxy)ethoxy]benzenesulfonamide
CID 18409149
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343
2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360
2-fluorobenzenesulfonamide;phenylmethanol;2-phenylmethoxybenzenesulfonamide
CID 159036751
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 18318624
benzyl 2-[4-(2-aminoethyl)-2-(2-oxo-2-phenylmethoxyethoxy)phenoxy]acetate
CID 134127156
5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
CID 22157092
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 134127167
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
CID 43342544

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide?
The IUPAC name of 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide (CID 18409158) is 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide is NCCc1ccc(OCc2ccccc2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide?
The InChIKey is DDRDTUWQVKRSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-9-8-12-6-7-14(15(10-12)21(17,18)19)20-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11,16H2,(H2,17,18,19).
What are the key properties of 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide?
5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 18409158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).