N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide

C17H16N4O4S — CID 167875385

IUPACN-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide
SMILESCNc1cccc(S(=O)(=O)NC(=O)c2ccc(-n3cc[nH]c3=O)cc2)c1
InChIInChI=1S/C17H16N4O4S/c1-18-13-3-2-4-15(11-13)26(24,25)20-16(22)12-5-7-14(8-6-12)21-10-9-19-17(21)23/h2-11,18H,1H3,(H,19,23)(H,20,22)
InChIKeyGHSIEUCRXNALMU-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.33
Rot. Bonds5

About N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide

N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide (PubChem CID 167875385) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide
PubChem CID167875385
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide
SMILESCNc1cccc(S(=O)(=O)NC(=O)c2ccc(-n3cc[nH]c3=O)cc2)c1
InChIInChI=1S/C17H16N4O4S/c1-18-13-3-2-4-15(11-13)26(24,25)20-16(22)12-5-7-14(8-6-12)21-10-9-19-17(21)23/h2-11,18H,1H3,(H,19,23)(H,20,22)
InChIKeyGHSIEUCRXNALMU-UHFFFAOYSA-N
XLogP1.33
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide
CID 166356755
3-(4-methylsulfonylphenyl)-1H-imidazol-2-one
CID 103125149
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
CID 55986969
4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
CID 60755899
2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 62637310
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-[3-(methylsulfamoyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763936
3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 114263610
2-methoxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]acetamide
CID 47265723
4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide
CID 46411605
4-methyl-3-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166762

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide?
The IUPAC name of N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide (CID 167875385) is N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide.
What is the SMILES notation for N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide?
The canonical SMILES for N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide is CNc1cccc(S(=O)(=O)NC(=O)c2ccc(-n3cc[nH]c3=O)cc2)c1.
What is the InChIKey of N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide?
The InChIKey is GHSIEUCRXNALMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-18-13-3-2-4-15(11-13)26(24,25)20-16(22)12-5-7-14(8-6-12)21-10-9-19-17(21)23/h2-11,18H,1H3,(H,19,23)(H,20,22).
What are the key properties of N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide?
N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide has a molecular weight of 372.41 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide is sourced from PubChem (CID 167875385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).