2-amino-N,N-dipropylbenzenesulfonamide

C12H20N2O2S — CID 16783844

IUPAC2-amino-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C12H20N2O2S/c1-3-9-14(10-4-2)17(15,16)12-8-6-5-7-11(12)13/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyJRCOIYJQHPYTEB-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.08
Rot. Bonds6

About 2-amino-N,N-dipropylbenzenesulfonamide

2-amino-N,N-dipropylbenzenesulfonamide (PubChem CID 16783844) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dipropylbenzenesulfonamide
PubChem CID16783844
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-amino-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C12H20N2O2S/c1-3-9-14(10-4-2)17(15,16)12-8-6-5-7-11(12)13/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyJRCOIYJQHPYTEB-UHFFFAOYSA-N
XLogP2.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.08
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

2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide
CID 63397021
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79380463
2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
CID 43272487
N-(2-bromoethyl)-2-methyl-N-propylbenzenesulfonamide
CID 80673519
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925
N,N-dipropylbenzenesulfonamide
CID 4053954
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 2-amino-N,N-dipropylbenzenesulfonamide (CID 16783844) is 2-amino-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N,N-dipropylbenzenesulfonamide?
The InChIKey is JRCOIYJQHPYTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-9-14(10-4-2)17(15,16)12-8-6-5-7-11(12)13/h5-8H,3-4,9-10,13H2,1-2H3.
What are the key properties of 2-amino-N,N-dipropylbenzenesulfonamide?
2-amino-N,N-dipropylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 16783844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).