4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide

C10H12ClNO3S — CID 82914363

IUPAC4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
SMILESCc1cc(OC/C=C/Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C10H12ClNO3S/c1-8-7-9(15-6-2-5-11)3-4-10(8)16(12,13)14/h2-5,7H,6H2,1H3,(H2,12,13,14)/b5-2+
InChIKeyDSEQMEBXAXLEPJ-GORDUTHDSA-N
MW261.73 g/mol
LogP1.77
Rot. Bonds4

About 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide

4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide (PubChem CID 82914363) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
PubChem CID82914363
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
SMILESCc1cc(OC/C=C/Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C10H12ClNO3S/c1-8-7-9(15-6-2-5-11)3-4-10(8)16(12,13)14/h2-5,7H,6H2,1H3,(H2,12,13,14)/b5-2+
InChIKeyDSEQMEBXAXLEPJ-GORDUTHDSA-N
XLogP1.77
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-but-2-enoxy]-2-methylbenzenesulfonyl chloride
CID 82915922
4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 81435717
4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
CID 80694123
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650
2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82914582
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
4-(4-cyanobutoxy)-2-methylbenzenesulfonamide
CID 82914658
2-[(E)-3-chloroprop-2-enoxy]-3-methyl-5-nitrobenzenesulfonamide
CID 113369576
2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82914505
1-(3-chloroprop-2-enoxy)-3-methylbenzene
CID 554611
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82914364

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide?
The IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide (CID 82914363) is 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide is Cc1cc(OC/C=C/Cl)ccc1S(N)(=O)=O.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide?
The InChIKey is DSEQMEBXAXLEPJ-GORDUTHDSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-8-7-9(15-6-2-5-11)3-4-10(8)16(12,13)14/h2-5,7H,6H2,1H3,(H2,12,13,14)/b5-2+.
What are the key properties of 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide?
4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide has a molecular weight of 261.73 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide is sourced from PubChem (CID 82914363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).