N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide

C16H18ClNO4S — CID 141223265

IUPACN-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide
SMILESCOc1cc(OCc2ccccc2)c(NS(C)(=O)=O)cc1CCl
InChIInChI=1S/C16H18ClNO4S/c1-21-15-9-16(22-11-12-6-4-3-5-7-12)14(8-13(15)10-17)18-23(2,19)20/h3-9,18H,10-11H2,1-2H3
InChIKeyPJIWOMSVBJKCII-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.38
Rot. Bonds7

About N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide

N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide (PubChem CID 141223265) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide
PubChem CID141223265
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC NameN-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide
SMILESCOc1cc(OCc2ccccc2)c(NS(C)(=O)=O)cc1CCl
InChIInChI=1S/C16H18ClNO4S/c1-21-15-9-16(22-11-12-6-4-3-5-7-12)14(8-13(15)10-17)18-23(2,19)20/h3-9,18H,10-11H2,1-2H3
InChIKeyPJIWOMSVBJKCII-UHFFFAOYSA-N
XLogP3.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]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-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 67638767
N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 173182413
N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
CID 10549566
N-(2-iodo-5-nitro-3-phenylmethoxyphenyl)methanesulfonamide
CID 11719307
2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259434
5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
CID 146277743
3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71658250
N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
CID 71390494
N-[5-[(1R)-2-[[1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-yl]amino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 90718334

Frequently Asked Questions

What is the IUPAC name of N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide (CID 141223265) is N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide is COc1cc(OCc2ccccc2)c(NS(C)(=O)=O)cc1CCl.
What is the InChIKey of N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide?
The InChIKey is PJIWOMSVBJKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-21-15-9-16(22-11-12-6-4-3-5-7-12)14(8-13(15)10-17)18-23(2,19)20/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide?
N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide is sourced from PubChem (CID 141223265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).