N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide

C15H18N2O3S — CID 43332057

IUPACN-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-16-13-5-9-15(10-6-13)21(18,19)17-11-12-3-7-14(20-2)8-4-12/h3-10,16-17H,11H2,1-2H3
InChIKeyMDUNLCZRABDXMG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.22
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide

N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide (PubChem CID 43332057) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
PubChem CID43332057
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-16-13-5-9-15(10-6-13)21(18,19)17-11-12-3-7-14(20-2)8-4-12/h3-10,16-17H,11H2,1-2H3
InChIKeyMDUNLCZRABDXMG-UHFFFAOYSA-N
XLogP2.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 82222818
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
4-methoxy-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]benzenesulfonamide
CID 58696166
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide (CID 43332057) is N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide?
The InChIKey is MDUNLCZRABDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-16-13-5-9-15(10-6-13)21(18,19)17-11-12-3-7-14(20-2)8-4-12/h3-10,16-17H,11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 43332057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).