N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide

C13H16ClN3O3S — CID 62999325

IUPACN-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCCOc1ccc(Cl)cc1NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C13H16ClN3O3S/c1-3-6-20-12-5-4-10(14)7-11(12)17-21(18,19)13-8-15-9(2)16-13/h4-5,7-8,17H,3,6H2,1-2H3,(H,15,16)
InChIKeyKMSRILJPDMBANP-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.96
Rot. Bonds6

About N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide

N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 62999325) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID62999325
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCCOc1ccc(Cl)cc1NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C13H16ClN3O3S/c1-3-6-20-12-5-4-10(14)7-11(12)17-21(18,19)13-8-15-9(2)16-13/h4-5,7-8,17H,3,6H2,1-2H3,(H,15,16)
InChIKeyKMSRILJPDMBANP-UHFFFAOYSA-N
XLogP2.96
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997807
N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 113257304
2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide
CID 61041732
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 62999128
N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 63999221
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
CID 63453538
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide
CID 62999451
3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 107810033

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 62999325) is N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide is CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is KMSRILJPDMBANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-3-6-20-12-5-4-10(14)7-11(12)17-21(18,19)13-8-15-9(2)16-13/h4-5,7-8,17H,3,6H2,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62999325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).