5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide

C9H9ClN4O2S — CID 43455993

IUPAC5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccncc2)c1Cl
InChIInChI=1S/C9H9ClN4O2S/c1-14-6-12-9(8(14)10)17(15,16)13-7-2-4-11-5-3-7/h2-6H,1H3,(H,11,13)
InChIKeyKECXRAXFGWLQOH-UHFFFAOYSA-N
MW272.72 g/mol
LogP1.27
Rot. Bonds3

About 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide

5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide (PubChem CID 43455993) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
PubChem CID43455993
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccncc2)c1Cl
InChIInChI=1S/C9H9ClN4O2S/c1-14-6-12-9(8(14)10)17(15,16)13-7-2-4-11-5-3-7/h2-6H,1H3,(H,11,13)
InChIKeyKECXRAXFGWLQOH-UHFFFAOYSA-N
XLogP1.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide
CID 43616156
5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide
CID 35305898
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 61051800
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224
5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 55589335
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide (CID 43455993) is 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccncc2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide?
The InChIKey is KECXRAXFGWLQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-14-6-12-9(8(14)10)17(15,16)13-7-2-4-11-5-3-7/h2-6H,1H3,(H,11,13).
What are the key properties of 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide?
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide has a molecular weight of 272.72 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide is sourced from PubChem (CID 43455993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).