2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone

C14H15ClN2O3S — CID 161357249

IUPAC2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone
SMILESCCCn1cnc(C(=O)CS(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-2-8-17-10-16-13(14(17)15)12(18)9-21(19,20)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyVORXTWLQBXDIEM-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.60
Rot. Bonds6

About 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone

2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone (PubChem CID 161357249) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone
PubChem CID161357249
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone
SMILESCCCn1cnc(C(=O)CS(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-2-8-17-10-16-13(14(17)15)12(18)9-21(19,20)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyVORXTWLQBXDIEM-UHFFFAOYSA-N
XLogP2.60
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide
CID 139452923
2-(4-butoxyphenyl)sulfonyl-1-[5-chloro-1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanone
CID 159245475
1-[5-chloro-1-(3,3,3-trifluoropropyl)imidazol-4-yl]-2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]sulfonylethanone
CID 160712179
2-(4-chlorophenyl)sulfonyl-1-[5-chloro-1-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]ethanone
CID 157237651
1-benzyl-5-chloroimidazole-4-carboxylic acid
CID 68558649
2-(benzenesulfonyl)acetic acid;N,N-diethylethanamine
CID 71345032
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
methyl 5-(benzenesulfonyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74508041
1-(benzenesulfonyl)-3-chloropropan-2-one
CID 555621
1-(benzenesulfonyl)pentadecan-2-one
CID 10915541
3-(benzenesulfonyl)-2-oxopropanoic acid
CID 91929914
2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone
CID 62917039

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone (CID 161357249) is 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone is CCCn1cnc(C(=O)CS(=O)(=O)c2ccccc2)c1Cl.
What is the InChIKey of 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone?
The InChIKey is VORXTWLQBXDIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-2-8-17-10-16-13(14(17)15)12(18)9-21(19,20)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone?
2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone has a molecular weight of 326.81 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone is sourced from PubChem (CID 161357249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).