N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride

C8H7ClN2O3S — CID 18766652

IUPACN-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)Cl
InChIInChI=1S/C8H7ClN2O3S/c1-14-8-4-6(5-10)2-3-7(8)11-15(9,12)13/h2-4,11H,1H3
InChIKeyDBLHLYZDNIPBTR-UHFFFAOYSA-N
MW246.68 g/mol
LogP1.46
Rot. Bonds3

About N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride

N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride (PubChem CID 18766652) has the molecular formula C8H7ClN2O3S and a molecular weight of 246.68 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
PubChem CID18766652
Molecular FormulaC8H7ClN2O3S
Molecular Weight246.68 g/mol
Exact Mass245.99
IUPAC NameN-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)Cl
InChIInChI=1S/C8H7ClN2O3S/c1-14-8-4-6(5-10)2-3-7(8)11-15(9,12)13/h2-4,11H,1H3
InChIKeyDBLHLYZDNIPBTR-UHFFFAOYSA-N
XLogP1.46
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.68
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521156
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953
3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815180
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
2-(4-cyano-2-methoxyanilino)ethanesulfonamide
CID 114385179
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride (CID 18766652) is N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride is COc1cc(C#N)ccc1NS(=O)(=O)Cl.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride?
The InChIKey is DBLHLYZDNIPBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3S/c1-14-8-4-6(5-10)2-3-7(8)11-15(9,12)13/h2-4,11H,1H3.
What are the key properties of N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride?
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride has a molecular weight of 246.68 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride is sourced from PubChem (CID 18766652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).