N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide

C14H16N2O3S — CID 28731454

IUPACN-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCc2cccc(O)c2)c1
InChIInChI=1S/C14H16N2O3S/c1-20(18,19)16-13-6-3-5-12(9-13)15-10-11-4-2-7-14(17)8-11/h2-9,15-17H,10H2,1H3
InChIKeyXVLPXCLHALAFQH-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.38
Rot. Bonds5

About N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide

N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 28731454) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
PubChem CID28731454
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCc2cccc(O)c2)c1
InChIInChI=1S/C14H16N2O3S/c1-20(18,19)16-13-6-3-5-12(9-13)15-10-11-4-2-7-14(17)8-11/h2-9,15-17H,10H2,1H3
InChIKeyXVLPXCLHALAFQH-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[(4-ethylsulfonylanilino)methyl]phenol
CID 43689674
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539
N-[3-[(4-morpholin-4-ylanilino)methyl]phenyl]methanesulfonamide
CID 171675302
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide
CID 61171584
N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 28731496
N-[3-[(5-nitrothiophen-3-yl)methylamino]phenyl]methanesulfonamide
CID 60812074
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide
CID 168636645

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide (CID 28731454) is N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(NCc2cccc(O)c2)c1.
What is the InChIKey of N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is XVLPXCLHALAFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-20(18,19)16-13-6-3-5-12(9-13)15-10-11-4-2-7-14(17)8-11/h2-9,15-17H,10H2,1H3.
What are the key properties of N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide?
N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 28731454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).