4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide

C16H18ClNO3S — CID 850111

IUPAC4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-3-12-5-7-13(8-6-12)18-22(19,20)14-9-10-15(17)16(11-14)21-4-2/h5-11,18H,3-4H2,1-2H3
InChIKeyNWUSWVQVPQQPCB-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.10
Rot. Bonds6

About 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide

4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide (PubChem CID 850111) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
PubChem CID850111
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1Cl
InChIInChI=1S/C16H18ClNO3S/c1-3-12-5-7-13(8-6-12)18-22(19,20)14-9-10-15(17)16(11-14)21-4-2/h5-11,18H,3-4H2,1-2H3
InChIKeyNWUSWVQVPQQPCB-UHFFFAOYSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 306215
4-chloro-3-ethoxy-N-(2-ethylphenyl)benzenesulfonamide
CID 935496
4-chloro-N-mesityl-3-methoxybenzenesulfonamide
CID 977153
4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1259343
3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369230
4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 850112
N-[4-(benzyloxy)phenyl]-4-chlorobenzenesulfonamide
CID 985369
3-chloro-N-(3-(4-(dimethylamino)phenyl)propyl)-4-methoxybenzenesulfonamide
CID 16890872
3-chloro-N-(4-(dimethylamino)phenethyl)-4-methoxybenzenesulfonamide
CID 16890470
4-Chloro-N-(2-ethoxy-phenyl)-3-methoxy-benzenesulfonamide
CID 585878
2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide
CID 1044245
N-(3-chloro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 2842780

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide (CID 850111) is 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide?
The InChIKey is NWUSWVQVPQQPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-3-12-5-7-13(8-6-12)18-22(19,20)14-9-10-15(17)16(11-14)21-4-2/h5-11,18H,3-4H2,1-2H3.
What are the key properties of 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide?
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 850111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).