N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide

C15H17ClN2O2S — CID 62145281

IUPACN-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-3-17-12-5-7-13(8-6-12)21(19,20)18-15-9-4-11(2)10-14(15)16/h4-10,17-18H,3H2,1-2H3
InChIKeyJQNKHCAZZVTXNS-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.88
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide

N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide (PubChem CID 62145281) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
PubChem CID62145281
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-3-17-12-5-7-13(8-6-12)21(19,20)18-15-9-4-11(2)10-14(15)16/h4-10,17-18H,3H2,1-2H3
InChIKeyJQNKHCAZZVTXNS-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 62145351
N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-[4-[(2-chloro-4-methylphenyl)sulfamoyl]phenyl]propanoic acid
CID 7516441
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide (CID 62145281) is N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is JQNKHCAZZVTXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-17-12-5-7-13(8-6-12)21(19,20)18-15-9-4-11(2)10-14(15)16/h4-10,17-18H,3H2,1-2H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide?
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 62145281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).