N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide

C15H16ClNO3S — CID 7514268

IUPACN-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-3-20-12-5-7-13(8-6-12)21(18,19)17-15-9-4-11(2)10-14(15)16/h4-10,17H,3H2,1-2H3
InChIKeyBLXPBJOTFGWFHT-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.85
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide

N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide (PubChem CID 7514268) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
PubChem CID7514268
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-3-20-12-5-7-13(8-6-12)21(18,19)17-15-9-4-11(2)10-14(15)16/h4-10,17H,3H2,1-2H3
InChIKeyBLXPBJOTFGWFHT-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
3-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909558
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 169370534
2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid
CID 39827198
3-[4-[(2-chloro-4-methylphenyl)sulfamoyl]phenyl]propanoic acid
CID 7516441

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide (CID 7514268) is N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide?
The InChIKey is BLXPBJOTFGWFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-3-20-12-5-7-13(8-6-12)21(18,19)17-15-9-4-11(2)10-14(15)16/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide?
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 7514268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).