5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

C16H19BrN2O5S2 — CID 26267785

IUPAC5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccccc2Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H19BrN2O5S2/c1-4-24-14-10-9-12(11-16(14)26(22,23)19(2)3)18-25(20,21)15-8-6-5-7-13(15)17/h5-11,18H,4H2,1-3H3
InChIKeyFPPFGTGQEFQBMQ-UHFFFAOYSA-N
MW463.38 g/mol
LogP2.90
Rot. Bonds7

About 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 26267785) has the molecular formula C16H19BrN2O5S2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
PubChem CID26267785
Molecular FormulaC16H19BrN2O5S2
Molecular Weight463.38 g/mol
Exact Mass461.99
IUPAC Name5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccccc2Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H19BrN2O5S2/c1-4-24-14-10-9-12(11-16(14)26(22,23)19(2)3)18-25(20,21)15-8-6-5-7-13(15)17/h5-11,18H,4H2,1-3H3
InChIKeyFPPFGTGQEFQBMQ-UHFFFAOYSA-N
XLogP2.90
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
CID 8824209
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267806
2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
CID 61063205
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
CID 37218709
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (CID 26267785) is 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccccc2Br)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is FPPFGTGQEFQBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O5S2/c1-4-24-14-10-9-12(11-16(14)26(22,23)19(2)3)18-25(20,21)15-8-6-5-7-13(15)17/h5-11,18H,4H2,1-3H3.
What are the key properties of 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 463.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 26267785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).