N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide

C15H12ClNO3S — CID 71329789

IUPACN-[3-(2-chloroethenylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)C=CCl)c1)c1ccccc1
InChIInChI=1S/C15H12ClNO3S/c16-9-10-21(19,20)14-8-4-7-13(11-14)17-15(18)12-5-2-1-3-6-12/h1-11H,(H,17,18)
InChIKeyZARQZQOOXXRUQV-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.42
Rot. Bonds4

About N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide

N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide (PubChem CID 71329789) has the molecular formula C15H12ClNO3S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-chloroethenylsulfonyl)phenyl]benzamide
PubChem CID71329789
Molecular FormulaC15H12ClNO3S
Molecular Weight321.79 g/mol
Exact Mass321.02
IUPAC NameN-[3-(2-chloroethenylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)C=CCl)c1)c1ccccc1
InChIInChI=1S/C15H12ClNO3S/c16-9-10-21(19,20)14-8-4-7-13(11-14)17-15(18)12-5-2-1-3-6-12/h1-11H,(H,17,18)
InChIKeyZARQZQOOXXRUQV-UHFFFAOYSA-N
XLogP3.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
barium(2+);bis(3-(phenylcarbamoyl)benzenesulfonate);hydrate
CID 2749173
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
3-(benzenesulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 171989498
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide?
The IUPAC name of N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide (CID 71329789) is N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide?
The canonical SMILES for N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide is O=C(Nc1cccc(S(=O)(=O)C=CCl)c1)c1ccccc1.
What is the InChIKey of N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide?
The InChIKey is ZARQZQOOXXRUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3S/c16-9-10-21(19,20)14-8-4-7-13(11-14)17-15(18)12-5-2-1-3-6-12/h1-11H,(H,17,18).
What are the key properties of N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide?
N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide has a molecular weight of 321.79 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 71329789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).