N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide

C13H16BrN3O2S — CID 107868964

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C13H16BrN3O2S/c1-3-12-15-8-13(16-12)20(18,19)17-9(2)10-4-6-11(14)7-5-10/h4-9,17H,3H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyUHTWBUNSLPXJEE-VIFPVBQESA-N
MW358.26 g/mol
LogP2.77
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 107868964) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID107868964
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C13H16BrN3O2S/c1-3-12-15-8-13(16-12)20(18,19)17-9(2)10-4-6-11(14)7-5-10/h4-9,17H,3H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyUHTWBUNSLPXJEE-VIFPVBQESA-N
XLogP2.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide
CID 79246204
N-(2-chloro-1-phenylethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65030918
N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
CID 28560656
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-bromo-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 107799032
5-bromo-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 82694218
(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80749768
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
CID 107868859
N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106833768
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide (CID 107868964) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)[nH]1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is UHTWBUNSLPXJEE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c1-3-12-15-8-13(16-12)20(18,19)17-9(2)10-4-6-11(14)7-5-10/h4-9,17H,3H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 358.26 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 107868964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).