N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide

C17H16N4O3S — CID 110668490

IUPACN-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)cc1
InChIInChI=1S/C17H16N4O3S/c1-12(22)20-14-6-8-16(9-7-14)25(23,24)21-15-4-2-13(3-5-15)17-10-18-11-19-17/h2-11,21H,1H3,(H,18,19)(H,20,22)
InChIKeyCNXIOKXAXRQQJN-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.84
Rot. Bonds5

About N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 110668490) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID110668490
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)cc1
InChIInChI=1S/C17H16N4O3S/c1-12(22)20-14-6-8-16(9-7-14)25(23,24)21-15-4-2-13(3-5-15)17-10-18-11-19-17/h2-11,21H,1H3,(H,18,19)(H,20,22)
InChIKeyCNXIOKXAXRQQJN-UHFFFAOYSA-N
XLogP2.84
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772
N-[4-(1H-imidazol-5-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61275741
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide
CID 84512955
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 84512971
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-[4-[(4-pyridin-3-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 1332367
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
N-[4-(1H-imidazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 84512965
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
CID 60666058

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide (CID 110668490) is N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cnc[nH]3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is CNXIOKXAXRQQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-12(22)20-14-6-8-16(9-7-14)25(23,24)21-15-4-2-13(3-5-15)17-10-18-11-19-17/h2-11,21H,1H3,(H,18,19)(H,20,22).
What are the key properties of N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 356.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1H-imidazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 110668490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).