1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide

C9H12ClNO4S — CID 63665098

IUPAC1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)CCl)c1
InChIInChI=1S/C9H12ClNO4S/c1-14-7-3-4-9(15-2)8(5-7)11-16(12,13)6-10/h3-5,11H,6H2,1-2H3
InChIKeyWIVYBCVQTGWMJJ-UHFFFAOYSA-N
MW265.72 g/mol
LogP1.64
Rot. Bonds5

About 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide

1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide (PubChem CID 63665098) has the molecular formula C9H12ClNO4S and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
PubChem CID63665098
Molecular FormulaC9H12ClNO4S
Molecular Weight265.72 g/mol
Exact Mass265.02
IUPAC Name1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)CCl)c1
InChIInChI=1S/C9H12ClNO4S/c1-14-7-3-4-9(15-2)8(5-7)11-16(12,13)6-10/h3-5,11H,6H2,1-2H3
InChIKeyWIVYBCVQTGWMJJ-UHFFFAOYSA-N
XLogP1.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
CID 28632724
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904
N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106058883
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide (CID 63665098) is 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide is COc1ccc(OC)c(NS(=O)(=O)CCl)c1.
What is the InChIKey of 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide?
The InChIKey is WIVYBCVQTGWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO4S/c1-14-7-3-4-9(15-2)8(5-7)11-16(12,13)6-10/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide?
1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide has a molecular weight of 265.72 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 63665098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).