2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide

C13H18N4O2S — CID 61326146

IUPAC2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCCn1ccnc1
InChIInChI=1S/C13H18N4O2S/c1-16(2)20(18,19)13-6-4-3-5-12(13)15-8-10-17-9-7-14-11-17/h3-7,9,11,15H,8,10H2,1-2H3
InChIKeyCRIKIABAYWBWFB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.25
Rot. Bonds6

About 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide

2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 61326146) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID61326146
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCCn1ccnc1
InChIInChI=1S/C13H18N4O2S/c1-16(2)20(18,19)13-6-4-3-5-12(13)15-8-10-17-9-7-14-11-17/h3-7,9,11,15H,8,10H2,1-2H3
InChIKeyCRIKIABAYWBWFB-UHFFFAOYSA-N
XLogP1.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 61482270
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
2-(difluoromethylsulfonyl)-N-(3-imidazol-1-ylpropyl)aniline
CID 43455408
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330452
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
CID 79562680
2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one
CID 57153179
3-N-(2-imidazol-1-ylethyl)-2-nitrobenzene-1,3-diamine
CID 80804235

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide (CID 61326146) is 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCCn1ccnc1.
What is the InChIKey of 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is CRIKIABAYWBWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-16(2)20(18,19)13-6-4-3-5-12(13)15-8-10-17-9-7-14-11-17/h3-7,9,11,15H,8,10H2,1-2H3.
What are the key properties of 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide?
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 61326146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).