5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide

C11H13ClN4O2S — CID 35305898

IUPAC5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccncc1
InChIInChI=1S/C11H13ClN4O2S/c1-8(9-3-5-13-6-4-9)15-19(17,18)11-10(12)16(2)7-14-11/h3-8,15H,1-2H3/t8-/m0/s1
InChIKeyJSWNGTYKLUNCKV-QMMMGPOBSA-N
MW300.77 g/mol
LogP1.51
Rot. Bonds4

About 5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide (PubChem CID 35305898) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide
PubChem CID35305898
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccncc1
InChIInChI=1S/C11H13ClN4O2S/c1-8(9-3-5-13-6-4-9)15-19(17,18)11-10(12)16(2)7-14-11/h3-8,15H,1-2H3/t8-/m0/s1
InChIKeyJSWNGTYKLUNCKV-QMMMGPOBSA-N
XLogP1.51
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide (CID 35305898) is 5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide is C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccncc1.
What is the InChIKey of 5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide?
The InChIKey is JSWNGTYKLUNCKV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-8(9-3-5-13-6-4-9)15-19(17,18)11-10(12)16(2)7-14-11/h3-8,15H,1-2H3/t8-/m0/s1.
What are the key properties of 5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.51, 4 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-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 35305898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).