2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide

C14H16ClN5O2S — CID 169368096

IUPAC2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide
SMILESCc1cc(NS(=O)(=O)c2ccc(/N=C(/N)CCl)cc2)nc(C)n1
InChIInChI=1S/C14H16ClN5O2S/c1-9-7-14(18-10(2)17-9)20-23(21,22)12-5-3-11(4-6-12)19-13(16)8-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeyZZFNGWOKDRBIIR-UHFFFAOYSA-N
MW353.84 g/mol
LogP2.12
Rot. Bonds5

About 2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide

2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide (PubChem CID 169368096) has the molecular formula C14H16ClN5O2S and a molecular weight of 353.84 g/mol. Its IUPAC name is 2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide
PubChem CID169368096
Molecular FormulaC14H16ClN5O2S
Molecular Weight353.84 g/mol
Exact Mass353.07
IUPAC Name2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide
SMILESCc1cc(NS(=O)(=O)c2ccc(/N=C(/N)CCl)cc2)nc(C)n1
InChIInChI=1S/C14H16ClN5O2S/c1-9-7-14(18-10(2)17-9)20-23(21,22)12-5-3-11(4-6-12)19-13(16)8-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeyZZFNGWOKDRBIIR-UHFFFAOYSA-N
XLogP2.12
TPSA110.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 52.12
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-[(5-methylpyrimidin-2-yl)sulfamoyl]phenyl]ethanimidamide
CID 169368104
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide
CID 169366539
[4-[(1-amino-2-chloroethylidene)amino]phenyl]sulfonylurea
CID 169364990
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-hydroxybenzenesulfonamide
CID 74228383
N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide
CID 25047791
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
2-(4-chlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5008824
2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 1039155
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 987078
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide (CID 169368096) is 2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide is Cc1cc(NS(=O)(=O)c2ccc(/N=C(/N)CCl)cc2)nc(C)n1.
What is the InChIKey of 2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide?
The InChIKey is ZZFNGWOKDRBIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2S/c1-9-7-14(18-10(2)17-9)20-23(21,22)12-5-3-11(4-6-12)19-13(16)8-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18,20).
What are the key properties of 2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide?
2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide has a molecular weight of 353.84 g/mol, XLogP of 2.12, 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-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide is sourced from PubChem (CID 169368096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).