4-N-(2-methylsulfonylethyl)benzene-1,4-diamine

C9H14N2O2S — CID 23104459

IUPAC4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
SMILESCS(=O)(=O)CCNc1ccc(N)cc1
InChIInChI=1S/C9H14N2O2S/c1-14(12,13)7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7,10H2,1H3
InChIKeyPJWCBUYMCGKLIH-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.73
Rot. Bonds4

About 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine

4-N-(2-methylsulfonylethyl)benzene-1,4-diamine (PubChem CID 23104459) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
PubChem CID23104459
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
SMILESCS(=O)(=O)CCNc1ccc(N)cc1
InChIInChI=1S/C9H14N2O2S/c1-14(12,13)7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7,10H2,1H3
InChIKeyPJWCBUYMCGKLIH-UHFFFAOYSA-N
XLogP0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(7-methylsulfonylheptyl)benzene-1,4-diamine
CID 139472179
4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid
CID 71375043
4-N-(3-butylsulfonylpropyl)benzene-1,4-diamine
CID 58586711
N-(2-methylsulfonylethyl)-4-propoxyaniline
CID 62327463
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 55230611
2-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 68602874
2-[3-(4-aminoanilino)propylsulfonyl]ethanol
CID 18927034
4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
4-N-(2-nitrosoethyl)benzene-1,4-diamine
CID 131970603

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine (CID 23104459) is 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine is CS(=O)(=O)CCNc1ccc(N)cc1.
What is the InChIKey of 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
The InChIKey is PJWCBUYMCGKLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-14(12,13)7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7,10H2,1H3.
What are the key properties of 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine has a molecular weight of 214.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfonylethyl)benzene-1,4-diamine is sourced from PubChem (CID 23104459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).