1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide

C10H12ClNO2S — CID 18891250

IUPAC1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2S/c1-2-7-12-15(13,14)8-9-3-5-10(11)6-4-9/h2-6,12H,1,7-8H2
InChIKeyYDHASLZJGHJMFH-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.95
Rot. Bonds5

About 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide

1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide (PubChem CID 18891250) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
PubChem CID18891250
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2S/c1-2-7-12-15(13,14)8-9-3-5-10(11)6-4-9/h2-6,12H,1,7-8H2
InChIKeyYDHASLZJGHJMFH-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide
CID 84591032
2-[(4-chlorophenyl)methylsulfonylamino]-N-phenylacetamide
CID 51711268
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
CID 110716513
1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene
CID 141025901
2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 22300462
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 110725753
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110714894

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide (CID 18891250) is 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide is C=CCNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is YDHASLZJGHJMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-2-7-12-15(13,14)8-9-3-5-10(11)6-4-9/h2-6,12H,1,7-8H2.
What are the key properties of 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide?
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 245.73 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 18891250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).