3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide

C11H11ClN4O3S — CID 60747411

IUPAC3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc(C(N)=O)c2)c1Cl
InChIInChI=1S/C11H11ClN4O3S/c1-16-6-14-11(9(16)12)20(18,19)15-8-4-2-3-7(5-8)10(13)17/h2-6,15H,1H3,(H2,13,17)
InChIKeyRAYITWPAEPUSAE-UHFFFAOYSA-N
MW314.75 g/mol
LogP0.97
Rot. Bonds4

About 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide

3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide (PubChem CID 60747411) has the molecular formula C11H11ClN4O3S and a molecular weight of 314.75 g/mol. Its IUPAC name is 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
PubChem CID60747411
Molecular FormulaC11H11ClN4O3S
Molecular Weight314.75 g/mol
Exact Mass314.02
IUPAC Name3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc(C(N)=O)c2)c1Cl
InChIInChI=1S/C11H11ClN4O3S/c1-16-6-14-11(9(16)12)20(18,19)15-8-4-2-3-7(5-8)10(13)17/h2-6,15H,1H3,(H2,13,17)
InChIKeyRAYITWPAEPUSAE-UHFFFAOYSA-N
XLogP0.97
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide
CID 63980035
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 61053533
5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
CID 134006766
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide
CID 46595981
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide
CID 3874725
5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide (CID 60747411) is 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide is Cn1cnc(S(=O)(=O)Nc2cccc(C(N)=O)c2)c1Cl.
What is the InChIKey of 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide?
The InChIKey is RAYITWPAEPUSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3S/c1-16-6-14-11(9(16)12)20(18,19)15-8-4-2-3-7(5-8)10(13)17/h2-6,15H,1H3,(H2,13,17).
What are the key properties of 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide?
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide has a molecular weight of 314.75 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 60747411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).