1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine

C15H18N2O2S — CID 43448062

IUPAC1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine
SMILESCc1cc(C)cc(Nc2ccc(S(C)(=O)=O)cc2N)c1
InChIInChI=1S/C15H18N2O2S/c1-10-6-11(2)8-12(7-10)17-15-5-4-13(9-14(15)16)20(3,18)19/h4-9,17H,16H2,1-3H3
InChIKeyAIGOXNQHIAFAPD-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.03
Rot. Bonds3

About 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine

1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine (PubChem CID 43448062) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine
PubChem CID43448062
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine
SMILESCc1cc(C)cc(Nc2ccc(S(C)(=O)=O)cc2N)c1
InChIInChI=1S/C15H18N2O2S/c1-10-6-11(2)8-12(7-10)17-15-5-4-13(9-14(15)16)20(3,18)19/h4-9,17H,16H2,1-3H3
InChIKeyAIGOXNQHIAFAPD-UHFFFAOYSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.03
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

1-N-(2-bromo-4-methylphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448020
1-N-(3,4-dichlorophenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448039
1-N-(4-bromo-2,6-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 65467533
3-amino-4-(3-methylanilino)benzenesulfonamide
CID 43153464
4-iodo-1-N-(4-methylsulfonylphenyl)benzene-1,2-diamine
CID 66066064
1-N-(3-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448114
1-N-(3-chloro-4-methoxyphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448023
1-N-(5-bromo-2-chlorophenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 62914121
3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide
CID 43341117
4-methylsulfonyl-1-N-(1-methylsulfonylpropan-2-yl)benzene-1,2-diamine
CID 64630594
3-amino-4-(3,4,5-trifluoroanilino)benzenesulfonamide
CID 62809987
2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 56636906

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine?
The IUPAC name of 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine (CID 43448062) is 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine is Cc1cc(C)cc(Nc2ccc(S(C)(=O)=O)cc2N)c1.
What is the InChIKey of 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine?
The InChIKey is AIGOXNQHIAFAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-6-11(2)8-12(7-10)17-15-5-4-13(9-14(15)16)20(3,18)19/h4-9,17H,16H2,1-3H3.
What are the key properties of 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine?
1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine has a molecular weight of 290.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine is sourced from PubChem (CID 43448062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).