N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide

C14H14BrClN2O2S — CID 62145351

IUPACN-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-2-17-11-4-6-12(7-5-11)21(19,20)18-14-8-3-10(15)9-13(14)16/h3-9,17-18H,2H2,1H3
InChIKeyAPBPXCZEIAKBHO-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.34
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide

N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide (PubChem CID 62145351) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide
PubChem CID62145351
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-2-17-11-4-6-12(7-5-11)21(19,20)18-14-8-3-10(15)9-13(14)16/h3-9,17-18H,2H2,1H3
InChIKeyAPBPXCZEIAKBHO-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-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281
N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 107630479
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid
CID 39827198
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide (CID 62145351) is N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is APBPXCZEIAKBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-2-17-11-4-6-12(7-5-11)21(19,20)18-14-8-3-10(15)9-13(14)16/h3-9,17-18H,2H2,1H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide?
N-(4-bromo-2-chlorophenyl)-4-(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-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 62145351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).