5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide

C11H14ClN5O2S — CID 61051800

IUPAC5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ncn(C)c2Cl)cn1
InChIInChI=1S/C11H14ClN5O2S/c1-16(2)9-5-4-8(6-13-9)15-20(18,19)11-10(12)17(3)7-14-11/h4-7,15H,1-3H3
InChIKeyTYBYIHLHJNZORD-UHFFFAOYSA-N
MW315.79 g/mol
LogP1.34
Rot. Bonds4

About 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide (PubChem CID 61051800) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
PubChem CID61051800
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC Name5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ncn(C)c2Cl)cn1
InChIInChI=1S/C11H14ClN5O2S/c1-16(2)9-5-4-8(6-13-9)15-20(18,19)11-10(12)17(3)7-14-11/h4-7,15H,1-3H3
InChIKeyTYBYIHLHJNZORD-UHFFFAOYSA-N
XLogP1.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
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-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
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
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-2-sulfonamide
CID 103299543
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide
CID 61051988
3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 106611697
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide (CID 61051800) is 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide is CN(C)c1ccc(NS(=O)(=O)c2ncn(C)c2Cl)cn1.
What is the InChIKey of 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is TYBYIHLHJNZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c1-16(2)9-5-4-8(6-13-9)15-20(18,19)11-10(12)17(3)7-14-11/h4-7,15H,1-3H3.
What are the key properties of 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 315.79 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 61051800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).