4-amino-N-butyl-N,2-dimethylbenzenesulfonamide

C12H20N2O2S — CID 43258018

IUPAC4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H20N2O2S/c1-4-5-8-14(3)17(15,16)12-7-6-11(13)9-10(12)2/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyBZYUBIMIKMFSMU-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.00
Rot. Bonds5

About 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide

4-amino-N-butyl-N,2-dimethylbenzenesulfonamide (PubChem CID 43258018) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
PubChem CID43258018
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H20N2O2S/c1-4-5-8-14(3)17(15,16)12-7-6-11(13)9-10(12)2/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyBZYUBIMIKMFSMU-UHFFFAOYSA-N
XLogP2.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.00
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

4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide
CID 106997235
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
4-amino-N-[(2-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125375
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide
CID 165486376
4-amino-N-(3,5-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide (CID 43258018) is 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide?
The InChIKey is BZYUBIMIKMFSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-5-8-14(3)17(15,16)12-7-6-11(13)9-10(12)2/h6-7,9H,4-5,8,13H2,1-3H3.
What are the key properties of 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide?
4-amino-N-butyl-N,2-dimethylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 43258018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).