5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

C16H19BrN2O5S2 — CID 4830347

IUPAC5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19BrN2O5S2/c1-2-24-15-8-5-13(17)11-16(15)26(22,23)19-10-9-12-3-6-14(7-4-12)25(18,20)21/h3-8,11,19H,2,9-10H2,1H3,(H2,18,20,21)
InChIKeyKCAPAGMKARKMJX-UHFFFAOYSA-N
MW463.38 g/mol
LogP2.02
Rot. Bonds8

About 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 4830347) has the molecular formula C16H19BrN2O5S2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID4830347
Molecular FormulaC16H19BrN2O5S2
Molecular Weight463.38 g/mol
Exact Mass461.99
IUPAC Name5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19BrN2O5S2/c1-2-24-15-8-5-13(17)11-16(15)26(22,23)19-10-9-12-3-6-14(7-4-12)25(18,20)21/h3-8,11,19H,2,9-10H2,1H3,(H2,18,20,21)
InChIKeyKCAPAGMKARKMJX-UHFFFAOYSA-N
XLogP2.02
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
4-[2-[(3-bromo-4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17158026
3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2551997
5-bromo-2-ethoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide
CID 9209536
5-[(5-bromo-2-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 62032156
5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615074
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3482971
5-chloro-2-ethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126277
5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 3746979
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 1294409

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 4830347) is 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is KCAPAGMKARKMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O5S2/c1-2-24-15-8-5-13(17)11-16(15)26(22,23)19-10-9-12-3-6-14(7-4-12)25(18,20)21/h3-8,11,19H,2,9-10H2,1H3,(H2,18,20,21).
What are the key properties of 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 463.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 4830347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).