5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide

C13H16ClN3O2S — CID 43415224

IUPAC5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ncn(C)c2Cl)c1
InChIInChI=1S/C13H16ClN3O2S/c1-9(2)10-5-4-6-11(7-10)16-20(18,19)13-12(14)17(3)8-15-13/h4-9,16H,1-3H3
InChIKeyOLLSZAHUQIOGST-UHFFFAOYSA-N
MW313.81 g/mol
LogP3.00
Rot. Bonds4

About 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide (PubChem CID 43415224) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
PubChem CID43415224
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ncn(C)c2Cl)c1
InChIInChI=1S/C13H16ClN3O2S/c1-9(2)10-5-4-6-11(7-10)16-20(18,19)13-12(14)17(3)8-15-13/h4-9,16H,1-3H3
InChIKeyOLLSZAHUQIOGST-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide
CID 46595981
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714
5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
CID 134006766
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-1-methyl-N-(1-naphthalen-2-ylethyl)imidazole-4-sulfonamide
CID 134035693
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide (CID 43415224) is 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide is CC(C)c1cccc(NS(=O)(=O)c2ncn(C)c2Cl)c1.
What is the InChIKey of 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide?
The InChIKey is OLLSZAHUQIOGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-9(2)10-5-4-6-11(7-10)16-20(18,19)13-12(14)17(3)8-15-13/h4-9,16H,1-3H3.
What are the key properties of 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 43415224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).