1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide

C10H12IN5O2S — CID 154766940

IUPAC1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)c2ncc(I)cn2)cn1
InChIInChI=1S/C10H12IN5O2S/c1-3-16-7-9(6-14-16)19(17,18)15(2)10-12-4-8(11)5-13-10/h4-7H,3H2,1-2H3
InChIKeyZPWTZTMGNPABLJ-UHFFFAOYSA-N
MW393.21 g/mol
LogP1.12
Rot. Bonds4

About 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide

1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide (PubChem CID 154766940) has the molecular formula C10H12IN5O2S and a molecular weight of 393.21 g/mol. Its IUPAC name is 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide
PubChem CID154766940
Molecular FormulaC10H12IN5O2S
Molecular Weight393.21 g/mol
Exact Mass392.98
IUPAC Name1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)c2ncc(I)cn2)cn1
InChIInChI=1S/C10H12IN5O2S/c1-3-16-7-9(6-14-16)19(17,18)15(2)10-12-4-8(11)5-13-10/h4-7H,3H2,1-2H3
InChIKeyZPWTZTMGNPABLJ-UHFFFAOYSA-N
XLogP1.12
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 154787180
N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090600
1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
CID 167763013
1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 126841204
2-[4-[methyl(2-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63983446
2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 104551510
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120895703
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
CID 154737259
1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide
CID 126837054
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide (CID 154766940) is 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)c2ncc(I)cn2)cn1.
What is the InChIKey of 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide?
The InChIKey is ZPWTZTMGNPABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5O2S/c1-3-16-7-9(6-14-16)19(17,18)15(2)10-12-4-8(11)5-13-10/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide?
1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide has a molecular weight of 393.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 154766940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).