5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide

C14H12ClN3O2S — CID 60747502

IUPAC5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc3ccccc3c2)c1Cl
InChIInChI=1S/C14H12ClN3O2S/c1-18-9-16-14(13(18)15)21(19,20)17-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,17H,1H3
InChIKeyQWTRTVJEPXRKSR-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.03
Rot. Bonds3

About 5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide

5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide (PubChem CID 60747502) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
PubChem CID60747502
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc3ccccc3c2)c1Cl
InChIInChI=1S/C14H12ClN3O2S/c1-18-9-16-14(13(18)15)21(19,20)17-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,17H,1H3
InChIKeyQWTRTVJEPXRKSR-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224
5-chloro-1-methyl-N-(1-naphthalen-2-ylethyl)imidazole-4-sulfonamide
CID 134035693
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
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-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
naphthalen-2-yl 5-chloro-1-methylimidazole-4-sulfonate
CID 35292224
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide (CID 60747502) is 5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc3ccccc3c2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide?
The InChIKey is QWTRTVJEPXRKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-18-9-16-14(13(18)15)21(19,20)17-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,17H,1H3.
What are the key properties of 5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide?
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide has a molecular weight of 321.79 g/mol, XLogP of 3.03, 3 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-naphthalen-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 60747502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).