5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride

C11H13Cl2NO4S — CID 65368556

IUPAC5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCOc1c(C(=O)NC(C)C)cc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-6(2)14-11(15)8-4-7(12)5-9(10(8)18-3)19(13,16)17/h4-6H,1-3H3,(H,14,15)
InChIKeyFVXKKHFBGDYCDM-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.41
Rot. Bonds4

About 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride

5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368556) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368556
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCOc1c(C(=O)NC(C)C)cc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-6(2)14-11(15)8-4-7(12)5-9(10(8)18-3)19(13,16)17/h4-6H,1-3H3,(H,14,15)
InChIKeyFVXKKHFBGDYCDM-UHFFFAOYSA-N
XLogP2.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368417
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367857
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
5-chloro-2-methoxy-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372499
(2R)-2-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 120968760
5-chloro-3-(3,3-dimethylbutan-2-ylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 104830356
5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
CID 115408938
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
CID 65374998
2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 122068063
5-chloro-2-methoxy-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43510582
5-chloro-3-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 82890365

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65368556) is 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride is COc1c(C(=O)NC(C)C)cc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is FVXKKHFBGDYCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-6(2)14-11(15)8-4-7(12)5-9(10(8)18-3)19(13,16)17/h4-6H,1-3H3,(H,14,15).
What are the key properties of 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 326.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).