N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide

C14H17ClN4O3S — CID 46595981

IUPACN-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NS(=O)(=O)c2ncn(C)c2Cl)c1
InChIInChI=1S/C14H17ClN4O3S/c1-9(11-5-4-6-12(7-11)17-10(2)20)18-23(21,22)14-13(15)19(3)8-16-14/h4-9,18H,1-3H3,(H,17,20)
InChIKeyUIYVEQRLPQLGOP-UHFFFAOYSA-N
MW356.84 g/mol
LogP2.07
Rot. Bonds5

About N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide

N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide (PubChem CID 46595981) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide
PubChem CID46595981
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC NameN-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NS(=O)(=O)c2ncn(C)c2Cl)c1
InChIInChI=1S/C14H17ClN4O3S/c1-9(11-5-4-6-12(7-11)17-10(2)20)18-23(21,22)14-13(15)19(3)8-16-14/h4-9,18H,1-3H3,(H,17,20)
InChIKeyUIYVEQRLPQLGOP-UHFFFAOYSA-N
XLogP2.07
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224
N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 47164706
N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide
CID 55627714
5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide
CID 103854127
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide
CID 83086978
N-[3-[1-(morpholin-4-ylsulfonylamino)ethyl]phenyl]acetamide
CID 46595994
ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate
CID 55598192
methyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]-2-pyridin-3-ylacetate
CID 167836918
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754
N-[4-[1-(3,4-dichlorophenyl)ethylsulfamoyl]phenyl]acetamide
CID 42999054

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide (CID 46595981) is N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NS(=O)(=O)c2ncn(C)c2Cl)c1.
What is the InChIKey of N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide?
The InChIKey is UIYVEQRLPQLGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-9(11-5-4-6-12(7-11)17-10(2)20)18-23(21,22)14-13(15)19(3)8-16-14/h4-9,18H,1-3H3,(H,17,20).
What are the key properties of N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide?
N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide has a molecular weight of 356.84 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 46595981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).