2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide

C15H13BrClNO4S — CID 78895773

IUPAC2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)c2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H13BrClNO4S/c1-2-22-11-4-6-12(7-5-11)23(20,21)18-15(19)13-9-10(17)3-8-14(13)16/h3-9H,2H2,1H3,(H,18,19)
InChIKeyDZCWTGRFGBYYRU-UHFFFAOYSA-N
MW418.70 g/mol
LogP3.62
Rot. Bonds5

About 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide

2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide (PubChem CID 78895773) has the molecular formula C15H13BrClNO4S and a molecular weight of 418.70 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide
PubChem CID78895773
Molecular FormulaC15H13BrClNO4S
Molecular Weight418.70 g/mol
Exact Mass416.94
IUPAC Name2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)c2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H13BrClNO4S/c1-2-22-11-4-6-12(7-5-11)23(20,21)18-15(19)13-9-10(17)3-8-14(13)16/h3-9H,2H2,1H3,(H,18,19)
InChIKeyDZCWTGRFGBYYRU-UHFFFAOYSA-N
XLogP3.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.70
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 78895597
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4,5-dichloro-N-(4-ethoxyphenyl)sulfonyl-1H-pyrrole-2-carboxamide
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(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
CID 11181426
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
CID 9270566
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 6908616
3-(3,4-dichlorophenyl)-N-[4-(4-ethoxyphenoxy)phenyl]sulfonylbenzamide
CID 53473572
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide?
The IUPAC name of 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide (CID 78895773) is 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide is CCOc1ccc(S(=O)(=O)NC(=O)c2cc(Cl)ccc2Br)cc1.
What is the InChIKey of 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide?
The InChIKey is DZCWTGRFGBYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO4S/c1-2-22-11-4-6-12(7-5-11)23(20,21)18-15(19)13-9-10(17)3-8-14(13)16/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide?
2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide has a molecular weight of 418.70 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide is sourced from PubChem (CID 78895773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).