N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide

C16H19NO3S — CID 94622750

IUPACN-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H19NO3S/c1-12-9-13(2)11-14(10-12)17(3)21(18,19)16-7-5-15(20-4)6-8-16/h5-11H,1-4H3
InChIKeyPURLMNVXIHCEAH-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.14
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide

N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 94622750) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID94622750
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H19NO3S/c1-12-9-13(2)11-14(10-12)17(3)21(18,19)16-7-5-15(20-4)6-8-16/h5-11H,1-4H3
InChIKeyPURLMNVXIHCEAH-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 62002863
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid
CID 75399783
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
2-chloro-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoic acid
CID 100552922
N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide
CID 177478760
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 16550880
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide (CID 94622750) is N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is PURLMNVXIHCEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-9-13(2)11-14(10-12)17(3)21(18,19)16-7-5-15(20-4)6-8-16/h5-11H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide?
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 94622750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).