5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide

C9H12ClN5O2S — CID 103854127

IUPAC5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ncn(C)c1Cl)c1cn[nH]c1
InChIInChI=1S/C9H12ClN5O2S/c1-6(7-3-12-13-4-7)14-18(16,17)9-8(10)15(2)5-11-9/h3-6,14H,1-2H3,(H,12,13)
InChIKeyMYHCIDKIPSTXTI-UHFFFAOYSA-N
MW289.75 g/mol
LogP0.84
Rot. Bonds4

About 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 103854127) has the molecular formula C9H12ClN5O2S and a molecular weight of 289.75 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide
PubChem CID103854127
Molecular FormulaC9H12ClN5O2S
Molecular Weight289.75 g/mol
Exact Mass289.04
IUPAC Name5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ncn(C)c1Cl)c1cn[nH]c1
InChIInChI=1S/C9H12ClN5O2S/c1-6(7-3-12-13-4-7)14-18(16,17)9-8(10)15(2)5-11-9/h3-6,14H,1-2H3,(H,12,13)
InChIKeyMYHCIDKIPSTXTI-UHFFFAOYSA-N
XLogP0.84
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-chloro-1-methyl-N-(1-naphthalen-2-ylethyl)imidazole-4-sulfonamide
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5-chloro-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-sulfonamide
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5-chloro-1-methyl-N-(3-methylpentan-2-yl)imidazole-4-sulfonamide
CID 61395268
N-[3-[1-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl]acetamide
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2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
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1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
5-chloro-N-(1-cyanopropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 62091697
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106217923
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide (CID 103854127) is 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide is CC(NS(=O)(=O)c1ncn(C)c1Cl)c1cn[nH]c1.
What is the InChIKey of 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is MYHCIDKIPSTXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2S/c1-6(7-3-12-13-4-7)14-18(16,17)9-8(10)15(2)5-11-9/h3-6,14H,1-2H3,(H,12,13).
What are the key properties of 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 289.75 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 103854127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).