4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride

C15H13Cl2NO3S — CID 154116463

IUPAC4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO3S/c16-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)
InChIKeyBPBRMDDKQRBMGH-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.24
Rot. Bonds5

About 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride

4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride (PubChem CID 154116463) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride
PubChem CID154116463
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO3S/c16-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)
InChIKeyBPBRMDDKQRBMGH-UHFFFAOYSA-N
XLogP3.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110293759
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
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CID 873795
4-[2-(2-ethylbutanoylamino)ethyl]benzenesulfonyl chloride
CID 43133869
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
4-[2-(1H-pyrazole-5-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63084257
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride
CID 65199256
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
CID 110790773
N-(2-benzylsulfonylethyl)-2-chlorobenzamide
CID 47029455

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride?
The IUPAC name of 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride (CID 154116463) is 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride?
The InChIKey is BPBRMDDKQRBMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c16-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19).
What are the key properties of 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride?
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride has a molecular weight of 358.25 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride is sourced from PubChem (CID 154116463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).