N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide

C13H18N4O2S — CID 62152924

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C13H18N4O2S/c1-11(9-17-8-7-15-10-17)16-20(18,19)13-6-4-3-5-12(13)14-2/h3-8,10-11,14,16H,9H2,1-2H3
InChIKeyYEDYTAIUVJFRNT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.29
Rot. Bonds6

About N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide

N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide (PubChem CID 62152924) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
PubChem CID62152924
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C13H18N4O2S/c1-11(9-17-8-7-15-10-17)16-20(18,19)13-6-4-3-5-12(13)14-2/h3-8,10-11,14,16H,9H2,1-2H3
InChIKeyYEDYTAIUVJFRNT-UHFFFAOYSA-N
XLogP1.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305515
3-(1-imidazol-1-ylpropan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596888
2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 61482270
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide
CID 64603296
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide (CID 62152924) is N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)NC(C)Cn1ccnc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide?
The InChIKey is YEDYTAIUVJFRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-11(9-17-8-7-15-10-17)16-20(18,19)13-6-4-3-5-12(13)14-2/h3-8,10-11,14,16H,9H2,1-2H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide?
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62152924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).