N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide

C15H18N2O3S — CID 43109245

IUPACN-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1cccc(NS(C)(=O)=O)c1)c1cccc(O)c1
InChIInChI=1S/C15H18N2O3S/c1-11(12-5-3-8-15(18)9-12)16-13-6-4-7-14(10-13)17-21(2,19)20/h3-11,16-18H,1-2H3
InChIKeyRIGKXIRUJDPXKR-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.94
Rot. Bonds5

About N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide

N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide (PubChem CID 43109245) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
PubChem CID43109245
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1cccc(NS(C)(=O)=O)c1)c1cccc(O)c1
InChIInChI=1S/C15H18N2O3S/c1-11(12-5-3-8-15(18)9-12)16-13-6-4-7-14(10-13)17-21(2,19)20/h3-11,16-18H,1-2H3
InChIKeyRIGKXIRUJDPXKR-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
CID 43742050
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 28731454
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43680770
3-(1-hydroxyethyl)phenol;methanesulfonic acid
CID 174877430
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide (CID 43109245) is N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide is CC(Nc1cccc(NS(C)(=O)=O)c1)c1cccc(O)c1.
What is the InChIKey of N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is RIGKXIRUJDPXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(12-5-3-8-15(18)9-12)16-13-6-4-7-14(10-13)17-21(2,19)20/h3-11,16-18H,1-2H3.
What are the key properties of N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide?
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43109245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).