4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide

C14H21N5O2S — CID 3054837

IUPAC4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(N)cc2)n1CCN(C)C
InChIInChI=1S/C14H21N5O2S/c1-11-10-16-14(19(11)9-8-18(2)3)17-22(20,21)13-6-4-12(15)5-7-13/h4-7,10H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyPXDUFVOBKCGDGS-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.14
Rot. Bonds6

About 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide

4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide (PubChem CID 3054837) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide
PubChem CID3054837
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(N)cc2)n1CCN(C)C
InChIInChI=1S/C14H21N5O2S/c1-11-10-16-14(19(11)9-8-18(2)3)17-22(20,21)13-6-4-12(15)5-7-13/h4-7,10H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyPXDUFVOBKCGDGS-UHFFFAOYSA-N
XLogP1.14
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide (CID 3054837) is 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)n1CCN(C)C.
What is the InChIKey of 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide?
The InChIKey is PXDUFVOBKCGDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-11-10-16-14(19(11)9-8-18(2)3)17-22(20,21)13-6-4-12(15)5-7-13/h4-7,10H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide?
4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3054837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).