1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide

C15H26N2O2S — CID 62020523

IUPAC1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C15H26N2O2S/c1-3-5-11-17(12-6-4-2)20(18,19)13-14-9-7-8-10-15(14)16/h7-10H,3-6,11-13,16H2,1-2H3
InChIKeyZMLLXNBCNFJHCW-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.00
Rot. Bonds9

About 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide

1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide (PubChem CID 62020523) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
PubChem CID62020523
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C15H26N2O2S/c1-3-5-11-17(12-6-4-2)20(18,19)13-14-9-7-8-10-15(14)16/h7-10H,3-6,11-13,16H2,1-2H3
InChIKeyZMLLXNBCNFJHCW-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79381244
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide
CID 62021085
2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
CID 62020901
2-ethylaniline;sulfuric acid
CID 67820112
N-(2-bromoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 80669812
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
CID 62020164
1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61111090

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide (CID 62020523) is 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide is CCCCN(CCCC)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide?
The InChIKey is ZMLLXNBCNFJHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-5-11-17(12-6-4-2)20(18,19)13-14-9-7-8-10-15(14)16/h7-10H,3-6,11-13,16H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide?
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide is sourced from PubChem (CID 62020523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).