N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide

C18H18N4O3S — CID 86920862

IUPACN-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C18H18N4O3S/c1-12-9-14(10-17(13(12)2)26(19,24)25)18(23)21-15-3-5-16(6-4-15)22-8-7-20-11-22/h3-11H,1-2H3,(H,21,23)(H2,19,24,25)
InChIKeyICTBYCPPVDQOFP-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.39
Rot. Bonds4

About N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide

N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 86920862) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID86920862
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C18H18N4O3S/c1-12-9-14(10-17(13(12)2)26(19,24)25)18(23)21-15-3-5-16(6-4-15)22-8-7-20-11-22/h3-11H,1-2H3,(H,21,23)(H2,19,24,25)
InChIKeyICTBYCPPVDQOFP-UHFFFAOYSA-N
XLogP2.39
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide
CID 166201010
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 86920859
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
N-(3-methoxyphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 43022494
ethyl 1-[4-[(4-imidazol-1-ylphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 55651692
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777
3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 31410270
ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
CID 47078318

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide (CID 86920862) is N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide is Cc1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is ICTBYCPPVDQOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12-9-14(10-17(13(12)2)26(19,24)25)18(23)21-15-3-5-16(6-4-15)22-8-7-20-11-22/h3-11H,1-2H3,(H,21,23)(H2,19,24,25).
What are the key properties of N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide?
N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 86920862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).