4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride

C14H13Cl2NO4S2 — CID 15166823

IUPAC4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13Cl2NO4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10H2
InChIKeyZFOBKPNTUIOOIS-UHFFFAOYSA-N
MW394.30 g/mol
LogP2.79
Rot. Bonds6

About 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride

4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride (PubChem CID 15166823) has the molecular formula C14H13Cl2NO4S2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
PubChem CID15166823
Molecular FormulaC14H13Cl2NO4S2
Molecular Weight394.30 g/mol
Exact Mass392.97
IUPAC Name4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13Cl2NO4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10H2
InChIKeyZFOBKPNTUIOOIS-UHFFFAOYSA-N
XLogP2.79
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
CID 108780120
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide
CID 18504968
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
4-chloro-N-[2-[4-[(E)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]phenyl]ethyl]benzenesulfonamide
CID 10364563
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride?
The IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride (CID 15166823) is 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride?
The InChIKey is ZFOBKPNTUIOOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10H2.
What are the key properties of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride?
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride has a molecular weight of 394.30 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride is sourced from PubChem (CID 15166823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).