N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide

C19H20N4O3S — CID 75398161

IUPACN-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3ccnc3)cc2)cc1N(C)C
InChIInChI=1S/C19H20N4O3S/c1-14-4-9-17(12-18(14)22(2)3)27(25,26)21-19(24)15-5-7-16(8-6-15)23-11-10-20-13-23/h4-13H,1-3H3,(H,21,24)
InChIKeyKIOVUDDRKFKSNW-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.37
Rot. Bonds5

About N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide

N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide (PubChem CID 75398161) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide
PubChem CID75398161
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3ccnc3)cc2)cc1N(C)C
InChIInChI=1S/C19H20N4O3S/c1-14-4-9-17(12-18(14)22(2)3)27(25,26)21-19(24)15-5-7-16(8-6-15)23-11-10-20-13-23/h4-13H,1-3H3,(H,21,24)
InChIKeyKIOVUDDRKFKSNW-UHFFFAOYSA-N
XLogP2.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40966617
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
2-acetyl-N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 167924426
N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
CID 19023194
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide
CID 154785827
N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
CID 135478140
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573
4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
CID 135544499
N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 86920862

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide (CID 75398161) is N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3ccnc3)cc2)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide?
The InChIKey is KIOVUDDRKFKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-4-9-17(12-18(14)22(2)3)27(25,26)21-19(24)15-5-7-16(8-6-15)23-11-10-20-13-23/h4-13H,1-3H3,(H,21,24).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide?
N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 75398161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).