5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide

C12H20N2O2S — CID 43271671

IUPAC5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)CC(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)8-14(4)17(15,16)12-7-11(13)6-5-10(12)3/h5-7,9H,8,13H2,1-4H3
InChIKeyVLGNHRMEVXRRTB-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.85
Rot. Bonds4

About 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide

5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43271671) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43271671
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)CC(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)8-14(4)17(15,16)12-7-11(13)6-5-10(12)3/h5-7,9H,8,13H2,1-4H3
InChIKeyVLGNHRMEVXRRTB-UHFFFAOYSA-N
XLogP1.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.85
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

5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271659
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61112746
5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide (CID 43271671) is 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)N(C)CC(C)C.
What is the InChIKey of 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is VLGNHRMEVXRRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)8-14(4)17(15,16)12-7-11(13)6-5-10(12)3/h5-7,9H,8,13H2,1-4H3.
What are the key properties of 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43271671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).