N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide

C14H14BrClN2O2S — CID 81256088

IUPACN-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C14H14BrClN2O2S/c1-2-17-12-5-3-4-6-14(12)21(19,20)18-13-9-10(16)7-8-11(13)15/h3-9,17-18H,2H2,1H3
InChIKeyIWCFBANPPWFSMU-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.34
Rot. Bonds5

About N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide

N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide (PubChem CID 81256088) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide
PubChem CID81256088
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C14H14BrClN2O2S/c1-2-17-12-5-3-4-6-14(12)21(19,20)18-13-9-10(16)7-8-11(13)15/h3-9,17-18H,2H2,1H3
InChIKeyIWCFBANPPWFSMU-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 107370419
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 62153791
N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81274698
N-(2-bromo-4-chlorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 81280535
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
N-(2-bromo-5-chlorophenyl)-2-phenylpropane-1-sulfonamide
CID 81260767
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455202
2-bromo-5-chloro-N-(propylsulfamoyl)aniline
CID 114808923
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
N-(2-bromo-5-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 81279969
4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide (CID 81256088) is N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide is CCNc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide?
The InChIKey is IWCFBANPPWFSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-2-17-12-5-3-4-6-14(12)21(19,20)18-13-9-10(16)7-8-11(13)15/h3-9,17-18H,2H2,1H3.
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide?
N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 81256088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).