4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide

C14H24FN3O2S — CID 82845498

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H24FN3O2S/c1-11(2)10-18(8-7-17(3)4)21(19,20)12-5-6-14(16)13(15)9-12/h5-6,9,11H,7-8,10,16H2,1-4H3
InChIKeyWZYVTZCNFUVUQH-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.62
Rot. Bonds7

About 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide

4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 82845498) has the molecular formula C14H24FN3O2S and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID82845498
Molecular FormulaC14H24FN3O2S
Molecular Weight317.43 g/mol
Exact Mass317.16
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H24FN3O2S/c1-11(2)10-18(8-7-17(3)4)21(19,20)12-5-6-14(16)13(15)9-12/h5-6,9,11H,7-8,10,16H2,1-4H3
InChIKeyWZYVTZCNFUVUQH-UHFFFAOYSA-N
XLogP1.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 61138875
3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322704
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82844706
4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 82843782
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 81441653
4-amino-3-fluoro-N-propyl-N-prop-2-ynylbenzenesulfonamide
CID 82843671
3-amino-N-(2-cyanoethyl)-5-fluoro-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 116791637
2-fluoro-4-(4-methylpentylsulfonyl)aniline
CID 83163544
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
ethyl 2-[(4-amino-3-fluorophenyl)sulfonyl-ethylamino]acetate
CID 82844557

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 82845498) is 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is WZYVTZCNFUVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2S/c1-11(2)10-18(8-7-17(3)4)21(19,20)12-5-6-14(16)13(15)9-12/h5-6,9,11H,7-8,10,16H2,1-4H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide?
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 82845498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).