N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide

C21H21NO3S — CID 1377807

IUPACN-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C21H21NO3S/c1-15-4-12-21(13-5-15)26(23,24)22-18-7-10-19(11-8-18)25-20-9-6-16(2)17(3)14-20/h4-14,22H,1-3H3
InChIKeyQYSFOQQDEXZCBV-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.20
Rot. Bonds5

About N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide

N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 1377807) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID1377807
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C21H21NO3S/c1-15-4-12-21(13-5-15)26(23,24)22-18-7-10-19(11-8-18)25-20-9-6-16(2)17(3)14-20/h4-14,22H,1-3H3
InChIKeyQYSFOQQDEXZCBV-UHFFFAOYSA-N
XLogP5.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 49370742
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 70703505
4-methyl-N-[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372712
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide (CID 1377807) is N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is QYSFOQQDEXZCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-15-4-12-21(13-5-15)26(23,24)22-18-7-10-19(11-8-18)25-20-9-6-16(2)17(3)14-20/h4-14,22H,1-3H3.
What are the key properties of N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide?
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1377807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).