N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide

C11H17ClN2O3S — CID 113235534

IUPACN-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1c(O)cccc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-18(16,17)14-7-3-6-13-8-9-10(12)4-2-5-11(9)15/h2,4-5,13-15H,3,6-8H2,1H3
InChIKeyGDZDKZOFEUSZRQ-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.07
Rot. Bonds7

About N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide

N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide (PubChem CID 113235534) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide
PubChem CID113235534
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC NameN-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1c(O)cccc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-18(16,17)14-7-3-6-13-8-9-10(12)4-2-5-11(9)15/h2,4-5,13-15H,3,6-8H2,1H3
InChIKeyGDZDKZOFEUSZRQ-UHFFFAOYSA-N
XLogP1.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611732
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
3-chloro-2-[(5-methylhexylamino)methyl]phenol
CID 79002895
3-chloro-2-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632524
3-chloro-2-[(3,3-dimethylbutylamino)methyl]phenol
CID 115625573
3-chloro-2-[[2-[di(propan-2-yl)amino]ethylamino]methyl]phenol
CID 78959538
3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 78959669
3-chloro-2-[[[(3R)-3-hydroxybutyl]amino]methyl]phenol
CID 96958757
3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724323
3-chloro-2-[(3-phenoxypropylamino)methyl]phenol
CID 78959809
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
3-[(2-chloro-6-hydroxyphenyl)methylamino]-N-ethylpropanamide
CID 113409648

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide (CID 113235534) is N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNCc1c(O)cccc1Cl.
What is the InChIKey of N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide?
The InChIKey is GDZDKZOFEUSZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-18(16,17)14-7-3-6-13-8-9-10(12)4-2-5-11(9)15/h2,4-5,13-15H,3,6-8H2,1H3.
What are the key properties of N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide?
N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 113235534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).