N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide

C16H20N2O3S — CID 112987701

IUPACN-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)CC)cc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-21-16-11-9-14(10-12-16)17-13-5-7-15(8-6-13)18-22(19,20)4-2/h5-12,17-18H,3-4H2,1-2H3
InChIKeyZHYWBBWFOODEAI-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.59
Rot. Bonds7

About N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide

N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide (PubChem CID 112987701) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
PubChem CID112987701
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)CC)cc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-21-16-11-9-14(10-12-16)17-13-5-7-15(8-6-13)18-22(19,20)4-2/h5-12,17-18H,3-4H2,1-2H3
InChIKeyZHYWBBWFOODEAI-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide
CID 57403512
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
CID 112986729
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide (CID 112987701) is N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide is CCOc1ccc(Nc2ccc(NS(=O)(=O)CC)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide?
The InChIKey is ZHYWBBWFOODEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-21-16-11-9-14(10-12-16)17-13-5-7-15(8-6-13)18-22(19,20)4-2/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide?
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide is sourced from PubChem (CID 112987701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).