2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide

C9H15ClN4O3S — CID 47256582

IUPAC2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H15ClN4O3S/c1-4-11-7(15)5-14(3)18(16,17)9-8(10)13(2)6-12-9/h6H,4-5H2,1-3H3,(H,11,15)
InChIKeyGSFZNGBSNYNSMX-UHFFFAOYSA-N
MW294.76 g/mol
LogP-0.17
Rot. Bonds5

About 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide

2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide (PubChem CID 47256582) has the molecular formula C9H15ClN4O3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide
PubChem CID47256582
Molecular FormulaC9H15ClN4O3S
Molecular Weight294.76 g/mol
Exact Mass294.06
IUPAC Name2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H15ClN4O3S/c1-4-11-7(15)5-14(3)18(16,17)9-8(10)13(2)6-12-9/h6H,4-5H2,1-3H3,(H,11,15)
InChIKeyGSFZNGBSNYNSMX-UHFFFAOYSA-N
XLogP-0.17
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
CID 43456033
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 35327328
methyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957497
5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
CID 63207525
N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide
CID 35288819
ethyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetate
CID 54978459
5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
CID 60745358
5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide
CID 35303507
5-chloro-N-(cyclohexylmethyl)-N,1-dimethylimidazole-4-sulfonamide
CID 60745346
2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139363
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
CID 61053391
5-chloro-N-(1-ethylpiperidin-4-yl)-N,1-dimethylimidazole-4-sulfonamide
CID 35324425

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide (CID 47256582) is 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide?
The InChIKey is GSFZNGBSNYNSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O3S/c1-4-11-7(15)5-14(3)18(16,17)9-8(10)13(2)6-12-9/h6H,4-5H2,1-3H3,(H,11,15).
What are the key properties of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide?
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide has a molecular weight of 294.76 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 47256582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).