N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide

C13H16ClN3O3S — CID 62066439

IUPACN-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)nc1C
InChIInChI=1S/C13H16ClN3O3S/c1-3-6-17-8-13(15-9(17)2)21(19,20)16-11-7-10(14)4-5-12(11)18/h4-5,7-8,16,18H,3,6H2,1-2H3
InChIKeyHBYPCAISCBGNSF-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.76
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 62066439) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID62066439
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)nc1C
InChIInChI=1S/C13H16ClN3O3S/c1-3-6-17-8-13(15-9(17)2)21(19,20)16-11-7-10(14)4-5-12(11)18/h4-5,7-8,16,18H,3,6H2,1-2H3
InChIKeyHBYPCAISCBGNSF-UHFFFAOYSA-N
XLogP2.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 62066439) is N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)nc1C.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is HBYPCAISCBGNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-3-6-17-8-13(15-9(17)2)21(19,20)16-11-7-10(14)4-5-12(11)18/h4-5,7-8,16,18H,3,6H2,1-2H3.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62066439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).