4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

C14H20N4O2S — CID 61480807

IUPAC4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C14H20N4O2S/c1-11(9-18-8-7-16-10-18)17-21(19,20)14-5-3-13(4-6-14)12(2)15/h3-8,10-12,17H,9,15H2,1-2H3
InChIKeyLDYIGOURIQLVAM-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.27
Rot. Bonds6

About 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61480807) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID61480807
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C14H20N4O2S/c1-11(9-18-8-7-16-10-18)17-21(19,20)14-5-3-13(4-6-14)12(2)15/h3-8,10-12,17H,9,15H2,1-2H3
InChIKeyLDYIGOURIQLVAM-UHFFFAOYSA-N
XLogP1.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322492
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
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61480854
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
5-(aminomethyl)-1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009824
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61355869

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (CID 61480807) is 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is CC(Cn1ccnc1)NS(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is LDYIGOURIQLVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(9-18-8-7-16-10-18)17-21(19,20)14-5-3-13(4-6-14)12(2)15/h3-8,10-12,17H,9,15H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61480807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).