4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide

C14H15ClN2O4S2 — CID 2904660

IUPAC4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2O4S2/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,(H2,16,18,19)
InChIKeySQWPPZBXQYALKV-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.51
Rot. Bonds6

About 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide

4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 2904660) has the molecular formula C14H15ClN2O4S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide
PubChem CID2904660
Molecular FormulaC14H15ClN2O4S2
Molecular Weight374.87 g/mol
Exact Mass374.02
IUPAC Name4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2O4S2/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,(H2,16,18,19)
InChIKeySQWPPZBXQYALKV-UHFFFAOYSA-N
XLogP1.51
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide (CID 2904660) is 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is SQWPPZBXQYALKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S2/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,(H2,16,18,19).
What are the key properties of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 374.87 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2904660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).