N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide

C8H10ClN5O2S — CID 167876017

IUPACN-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cc(Cl)[nH]n2)cn1C
InChIInChI=1S/C8H10ClN5O2S/c1-5-10-8(4-14(5)2)17(15,16)13-7-3-6(9)11-12-7/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyAQEPVRKTCFSVBO-UHFFFAOYSA-N
MW275.72 g/mol
LogP0.91
Rot. Bonds3

About N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide

N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 167876017) has the molecular formula C8H10ClN5O2S and a molecular weight of 275.72 g/mol. Its IUPAC name is N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID167876017
Molecular FormulaC8H10ClN5O2S
Molecular Weight275.72 g/mol
Exact Mass275.02
IUPAC NameN-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cc(Cl)[nH]n2)cn1C
InChIInChI=1S/C8H10ClN5O2S/c1-5-10-8(4-14(5)2)17(15,16)13-7-3-6(9)11-12-7/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyAQEPVRKTCFSVBO-UHFFFAOYSA-N
XLogP0.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide (CID 167876017) is N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2cc(Cl)[nH]n2)cn1C.
What is the InChIKey of N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is AQEPVRKTCFSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2S/c1-5-10-8(4-14(5)2)17(15,16)13-7-3-6(9)11-12-7/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide?
N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 275.72 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 167876017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).