4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

C15H16ClNO3S — CID 172793035

IUPAC4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-15-5-3-2-4-13(15)11-17-21(18,19)14-8-6-12(10-16)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyPVGLRNYHNJSVMF-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.91
Rot. Bonds6

About 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 172793035) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID172793035
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-15-5-3-2-4-13(15)11-17-21(18,19)14-8-6-12(10-16)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyPVGLRNYHNJSVMF-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
CID 109060818
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110446090

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (CID 172793035) is 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is PVGLRNYHNJSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-15-5-3-2-4-13(15)11-17-21(18,19)14-8-6-12(10-16)7-9-14/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 172793035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).