5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide

C10H14ClN5O2S — CID 51891632

IUPAC5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide
SMILESC[C@H](Cn1cccn1)NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H14ClN5O2S/c1-8(6-16-5-3-4-13-16)14-19(17,18)10-9(11)15(2)7-12-10/h3-5,7-8,14H,6H2,1-2H3/t8-/m1/s1
InChIKeyNHUAPFIDLSHWAB-MRVPVSSYSA-N
MW303.78 g/mol
LogP0.64
Rot. Bonds5

About 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide (PubChem CID 51891632) has the molecular formula C10H14ClN5O2S and a molecular weight of 303.78 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide
PubChem CID51891632
Molecular FormulaC10H14ClN5O2S
Molecular Weight303.78 g/mol
Exact Mass303.06
IUPAC Name5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide
SMILESC[C@H](Cn1cccn1)NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H14ClN5O2S/c1-8(6-16-5-3-4-13-16)14-19(17,18)10-9(11)15(2)7-12-10/h3-5,7-8,14H,6H2,1-2H3/t8-/m1/s1
InChIKeyNHUAPFIDLSHWAB-MRVPVSSYSA-N
XLogP0.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide (CID 51891632) is 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide is C[C@H](Cn1cccn1)NS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide?
The InChIKey is NHUAPFIDLSHWAB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN5O2S/c1-8(6-16-5-3-4-13-16)14-19(17,18)10-9(11)15(2)7-12-10/h3-5,7-8,14H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide has a molecular weight of 303.78 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 51891632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).