3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride

C15H14ClNO3S — CID 110823487

IUPAC3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCCc1ccccc1)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C15H14ClNO3S/c16-21(19,20)14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)
InChIKeyPXOXCHMGKSQHGX-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.59
Rot. Bonds5

About 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride

3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 110823487) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
PubChem CID110823487
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCCc1ccccc1)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C15H14ClNO3S/c16-21(19,20)14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)
InChIKeyPXOXCHMGKSQHGX-UHFFFAOYSA-N
XLogP2.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173095
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
3-[(4-chlorophenyl)methylcarbamoyl]benzenesulfonyl chloride
CID 110823511
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
3-(5-methylhexylcarbamoyl)benzenesulfonyl chloride
CID 113287469
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride (CID 110823487) is 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride is O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is PXOXCHMGKSQHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-21(19,20)14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18).
What are the key properties of 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride?
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 323.80 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 110823487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).