N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide

C13H14ClN3O3S — CID 139452923

IUPACN-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide
SMILESCCCn1cnc(C(=O)NS(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C13H14ClN3O3S/c1-2-8-17-9-15-11(12(17)14)13(18)16-21(19,20)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,18)
InChIKeyMFEIJGRZGKCNPA-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.07
Rot. Bonds5

About N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide

N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide (PubChem CID 139452923) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide
PubChem CID139452923
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC NameN-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide
SMILESCCCn1cnc(C(=O)NS(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C13H14ClN3O3S/c1-2-8-17-9-15-11(12(17)14)13(18)16-21(19,20)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,18)
InChIKeyMFEIJGRZGKCNPA-UHFFFAOYSA-N
XLogP2.07
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-1-(5-chloro-1-propylimidazol-4-yl)ethanone
CID 161357249
N-(4-butoxyphenyl)sulfonyl-5-chloro-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452881
[4-[[5-chloro-1-(3,3,3-trifluoropropyl)imidazole-4-carbonyl]sulfamoyl]phenyl] acetate
CID 139452941
5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453291
N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide
CID 57401428
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453335
N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
CID 139453021
N-(benzenesulfonyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 87011272
1-benzyl-5-chloroimidazole-4-carboxylic acid
CID 68558649
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide (CID 139452923) is N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide is CCCn1cnc(C(=O)NS(=O)(=O)c2ccccc2)c1Cl.
What is the InChIKey of N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide?
The InChIKey is MFEIJGRZGKCNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-2-8-17-9-15-11(12(17)14)13(18)16-21(19,20)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,18).
What are the key properties of N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide?
N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide has a molecular weight of 327.79 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-5-chloro-1-propylimidazole-4-carboxamide is sourced from PubChem (CID 139452923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).