N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide

C15H13BrClNO3S — CID 1479194

IUPACN-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO3S/c16-12-3-7-14(8-4-12)22(20,21)10-9-18-15(19)11-1-5-13(17)6-2-11/h1-8H,9-10H2,(H,18,19)
InChIKeyHKFWSDVGHNNVAD-UHFFFAOYSA-N
MW402.70 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide

N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide (PubChem CID 1479194) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide
PubChem CID1479194
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC NameN-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO3S/c16-12-3-7-14(8-4-12)22(20,21)10-9-18-15(19)11-1-5-13(17)6-2-11/h1-8H,9-10H2,(H,18,19)
InChIKeyHKFWSDVGHNNVAD-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide (CID 1479194) is N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide is O=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide?
The InChIKey is HKFWSDVGHNNVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c16-12-3-7-14(8-4-12)22(20,21)10-9-18-15(19)11-1-5-13(17)6-2-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide?
N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide has a molecular weight of 402.70 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfonylethyl]-4-chlorobenzamide is sourced from PubChem (CID 1479194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).