5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide

C10H15ClN4O2S — CID 93470193

IUPAC5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C[C@@H](C)C#N)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H15ClN4O2S/c1-4-15(6-8(2)5-12)18(16,17)10-9(11)14(3)7-13-10/h7-8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyIOADQPRYXKDHCG-QMMMGPOBSA-N
MW290.78 g/mol
LogP1.24
Rot. Bonds5

About 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide

5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide (PubChem CID 93470193) has the molecular formula C10H15ClN4O2S and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
PubChem CID93470193
Molecular FormulaC10H15ClN4O2S
Molecular Weight290.78 g/mol
Exact Mass290.06
IUPAC Name5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C[C@@H](C)C#N)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H15ClN4O2S/c1-4-15(6-8(2)5-12)18(16,17)10-9(11)14(3)7-13-10/h7-8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyIOADQPRYXKDHCG-QMMMGPOBSA-N
XLogP1.24
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2S)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 93470194
5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 51892253
5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
CID 43456033
5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide
CID 61047067
3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979
5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
CID 60745358
4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387960
ethyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetate
CID 54978459
5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 62091697
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
CID 61053391
2,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387966
methyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957497

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide (CID 93470193) is 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide is CCN(C[C@@H](C)C#N)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide?
The InChIKey is IOADQPRYXKDHCG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN4O2S/c1-4-15(6-8(2)5-12)18(16,17)10-9(11)14(3)7-13-10/h7-8H,4,6H2,1-3H3/t8-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide?
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide has a molecular weight of 290.78 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 93470193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).