1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide

C16H20N2O2S — CID 61075877

IUPAC1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-18(16-6-4-5-13(2)11-16)21(19,20)12-14-7-9-15(17)10-8-14/h4-11H,3,12,17H2,1-2H3
InChIKeyBCQMWWDTPIVUGD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds5

About 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide

1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide (PubChem CID 61075877) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide
PubChem CID61075877
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-18(16-6-4-5-13(2)11-16)21(19,20)12-14-7-9-15(17)10-8-14/h4-11H,3,12,17H2,1-2H3
InChIKeyBCQMWWDTPIVUGD-UHFFFAOYSA-N
XLogP2.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide (CID 61075877) is 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide?
The InChIKey is BCQMWWDTPIVUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-18(16-6-4-5-13(2)11-16)21(19,20)12-14-7-9-15(17)10-8-14/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide?
1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 61075877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).