1-(3,4-dimethylphenyl)ethanesulfonamide

C10H15NO2S — CID 62083506

IUPAC1-(3,4-dimethylphenyl)ethanesulfonamide
SMILESCc1ccc(C(C)S(N)(=O)=O)cc1C
InChIInChI=1S/C10H15NO2S/c1-7-4-5-10(6-8(7)2)9(3)14(11,12)13/h4-6,9H,1-3H3,(H2,11,12,13)
InChIKeyZWDFNUKNPOENNA-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.65
Rot. Bonds2

About 1-(3,4-dimethylphenyl)ethanesulfonamide

1-(3,4-dimethylphenyl)ethanesulfonamide (PubChem CID 62083506) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)ethanesulfonamide
PubChem CID62083506
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(3,4-dimethylphenyl)ethanesulfonamide
SMILESCc1ccc(C(C)S(N)(=O)=O)cc1C
InChIInChI=1S/C10H15NO2S/c1-7-4-5-10(6-8(7)2)9(3)14(11,12)13/h4-6,9H,1-3H3,(H2,11,12,13)
InChIKeyZWDFNUKNPOENNA-UHFFFAOYSA-N
XLogP1.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-methylsulfonylpropan-1-ol
CID 104521030
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
1-(3,4-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82359986
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
CID 22401841
CID 22401841
1-[1-(3,4-dimethylphenyl)ethylsulfonylmethyl]cyclopentan-1-ol
CID 167831834
4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
CID 63436116
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)ethanesulfonamide?
The IUPAC name of 1-(3,4-dimethylphenyl)ethanesulfonamide (CID 62083506) is 1-(3,4-dimethylphenyl)ethanesulfonamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)ethanesulfonamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)ethanesulfonamide is Cc1ccc(C(C)S(N)(=O)=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)ethanesulfonamide?
The InChIKey is ZWDFNUKNPOENNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-4-5-10(6-8(7)2)9(3)14(11,12)13/h4-6,9H,1-3H3,(H2,11,12,13).
What are the key properties of 1-(3,4-dimethylphenyl)ethanesulfonamide?
1-(3,4-dimethylphenyl)ethanesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)ethanesulfonamide is sourced from PubChem (CID 62083506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).