2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide

C13H14ClN5O2S — CID 169368104

IUPAC2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(/N=C(/N)CCl)cc2)nc1
InChIInChI=1S/C13H14ClN5O2S/c1-9-7-16-13(17-8-9)19-22(20,21)11-4-2-10(3-5-11)18-12(15)6-14/h2-5,7-8H,6H2,1H3,(H2,15,18)(H,16,17,19)
InChIKeyBXZQQFSBFJQGNY-UHFFFAOYSA-N
MW339.81 g/mol
LogP1.81
Rot. Bonds5

About 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide

2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide (PubChem CID 169368104) has the molecular formula C13H14ClN5O2S and a molecular weight of 339.81 g/mol. Its IUPAC name is 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide
PubChem CID169368104
Molecular FormulaC13H14ClN5O2S
Molecular Weight339.81 g/mol
Exact Mass339.06
IUPAC Name2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(/N=C(/N)CCl)cc2)nc1
InChIInChI=1S/C13H14ClN5O2S/c1-9-7-16-13(17-8-9)19-22(20,21)11-4-2-10(3-5-11)18-12(15)6-14/h2-5,7-8H,6H2,1H3,(H2,15,18)(H,16,17,19)
InChIKeyBXZQQFSBFJQGNY-UHFFFAOYSA-N
XLogP1.81
TPSA110.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide
CID 169368096
[4-[(1-amino-2-chloroethylidene)amino]phenyl]sulfonylurea
CID 169364990
2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide
CID 169366539
2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide
CID 169367359
2-chloro-N'-[4-(3-ethoxypropylsulfamoyl)phenyl]ethanimidamide
CID 169366688
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide
CID 169368099
2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 132531856
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852
2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide
CID 169369257
4-tert-butyl-N-[2-(hydrazinecarbonyl)-5-methyl-3-pyridinyl]benzenesulfonamide
CID 59216834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide (CID 169368104) is 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide is Cc1cnc(NS(=O)(=O)c2ccc(/N=C(/N)CCl)cc2)nc1.
What is the InChIKey of 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide?
The InChIKey is BXZQQFSBFJQGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2S/c1-9-7-16-13(17-8-9)19-22(20,21)11-4-2-10(3-5-11)18-12(15)6-14/h2-5,7-8H,6H2,1H3,(H2,15,18)(H,16,17,19).
What are the key properties of 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide?
2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide has a molecular weight of 339.81 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide is sourced from PubChem (CID 169368104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).