4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride

C19H19Cl2NO4S — CID 160850173

IUPAC4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H]1[C@H](c2ccc(S(=O)(=O)Cl)cc2)C1(C)C
InChIInChI=1S/C19H19Cl2NO4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)18(23)22-14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)/t16-,17+/m0/s1
InChIKeySJDRXLNUTIGWIN-DLBZAZTESA-N
MW428.34 g/mol
LogP4.65
Rot. Bonds5

About 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride

4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride (PubChem CID 160850173) has the molecular formula C19H19Cl2NO4S and a molecular weight of 428.34 g/mol. Its IUPAC name is 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride
PubChem CID160850173
Molecular FormulaC19H19Cl2NO4S
Molecular Weight428.34 g/mol
Exact Mass427.04
IUPAC Name4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H]1[C@H](c2ccc(S(=O)(=O)Cl)cc2)C1(C)C
InChIInChI=1S/C19H19Cl2NO4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)18(23)22-14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)/t16-,17+/m0/s1
InChIKeySJDRXLNUTIGWIN-DLBZAZTESA-N
XLogP4.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride with MolForge

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Related Compounds

4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide
CID 160919527
3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride
CID 43140036
4-[(3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 129203726
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 4744696
N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075516
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
CID 25222733
N-(5-chloro-2-methoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689150
N-(5-chloro-2-ethoxyphenyl)-2,2-dicyclohexyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 155531422
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride (CID 160850173) is 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride is COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H](c2ccc(S(=O)(=O)Cl)cc2)C1(C)C.
What is the InChIKey of 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride?
The InChIKey is SJDRXLNUTIGWIN-DLBZAZTESA-N. The full InChI is InChI=1S/C19H19Cl2NO4S/c1-19(2)16(11-4-7-13(8-5-11)27(21,24)25)17(19)18(23)22-14-10-12(20)6-9-15(14)26-3/h4-10,16-17H,1-3H3,(H,22,23)/t16-,17+/m0/s1.
What are the key properties of 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride?
4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride has a molecular weight of 428.34 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride is sourced from PubChem (CID 160850173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).