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

C15H18N2O3S — CID 39439923

IUPACN-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(N)c2)cc1C
InChIInChI=1S/C15H18N2O3S/c1-10-4-5-12(9-14(10)16)17-21(18,19)13-6-7-15(20-3)11(2)8-13/h4-9,17H,16H2,1-3H3
InChIKeyXZCLYGQTDWIFIN-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.70
Rot. Bonds4

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

N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 39439923) 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-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID39439923
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(N)c2)cc1C
InChIInChI=1S/C15H18N2O3S/c1-10-4-5-12(9-14(10)16)17-21(18,19)13-6-7-15(20-3)11(2)8-13/h4-9,17H,16H2,1-3H3
InChIKeyXZCLYGQTDWIFIN-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-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604632
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide (CID 39439923) is N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)c(N)c2)cc1C.
What is the InChIKey of N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is XZCLYGQTDWIFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-4-5-12(9-14(10)16)17-21(18,19)13-6-7-15(20-3)11(2)8-13/h4-9,17H,16H2,1-3H3.
What are the key properties of N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(3-amino-4-methylphenyl)-4-methoxy-3-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-3-methylbenzenesulfonamide is sourced from PubChem (CID 39439923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).