5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide

C14H24N2O2S — CID 28551352

IUPAC5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C14H24N2O2S/c1-5-7-16(8-6-2)19(17,18)14-10-13(15)9-11(3)12(14)4/h9-10H,5-8,15H2,1-4H3
InChIKeySKRVLGKGYOYQNA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.70
Rot. Bonds6

About 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide

5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide (PubChem CID 28551352) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
PubChem CID28551352
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C14H24N2O2S/c1-5-7-16(8-6-2)19(17,18)14-10-13(15)9-11(3)12(14)4/h9-10H,5-8,15H2,1-4H3
InChIKeySKRVLGKGYOYQNA-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.70
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-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
5-amino-2-fluoro-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 80628140
5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112413
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
CID 63287106
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
methyl 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-propylamino]acetate
CID 79899489
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
CID 79896365
5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271659
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109
5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
CID 43264630

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide (CID 28551352) is 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide?
The InChIKey is SKRVLGKGYOYQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-7-16(8-6-2)19(17,18)14-10-13(15)9-11(3)12(14)4/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide?
5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 28551352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).