N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide

C15H18N2O3S — CID 39439925

IUPACN-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(N)c2)c(C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-4-5-12(9-14(10)16)17-21(18,19)15-7-6-13(20-3)8-11(15)2/h4-9,17H,16H2,1-3H3
InChIKeyOSMZMOJJEBAARD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.70
Rot. Bonds4

About N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide

N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 39439925) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
PubChem CID39439925
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(N)c2)c(C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-4-5-12(9-14(10)16)17-21(18,19)15-7-6-13(20-3)8-11(15)2/h4-9,17H,16H2,1-3H3
InChIKeyOSMZMOJJEBAARD-UHFFFAOYSA-N
XLogP2.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
3-[(4-methoxy-2-methylphenyl)sulfonylamino]benzamide
CID 87026601
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide (CID 39439925) is N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)c(N)c2)c(C)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is OSMZMOJJEBAARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-4-5-12(9-14(10)16)17-21(18,19)15-7-6-13(20-3)8-11(15)2/h4-9,17H,16H2,1-3H3.
What are the key properties of N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide?
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 39439925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).