4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide

C14H15ClN2O3S — CID 43745796

IUPAC4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(CNc2cc(S(N)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C14H15ClN2O3S/c1-20-11-4-2-10(3-5-11)9-17-14-8-12(21(16,18)19)6-7-13(14)15/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyHGLKHTVTBIJMFI-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.61
Rot. Bonds5

About 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide

4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 43745796) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
PubChem CID43745796
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(CNc2cc(S(N)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C14H15ClN2O3S/c1-20-11-4-2-10(3-5-11)9-17-14-8-12(21(16,18)19)6-7-13(14)15/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyHGLKHTVTBIJMFI-UHFFFAOYSA-N
XLogP2.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400436
2-chloro-N-[(4-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682080
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
CID 115212369
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide
CID 43745797
4-chloro-3-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115951518
[2-(4-methoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994064
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide (CID 43745796) is 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide is COc1ccc(CNc2cc(S(N)(=O)=O)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is HGLKHTVTBIJMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-20-11-4-2-10(3-5-11)9-17-14-8-12(21(16,18)19)6-7-13(14)15/h2-8,17H,9H2,1H3,(H2,16,18,19).
What are the key properties of 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide?
4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43745796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).