4-ethylsulfonyl-N-phenylbenzenesulfonamide

C14H15NO4S2 — CID 87026098

IUPAC4-ethylsulfonyl-N-phenylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H15NO4S2/c1-2-20(16,17)13-8-10-14(11-9-13)21(18,19)15-12-6-4-3-5-7-12/h3-11,15H,2H2,1H3
InChIKeyPFQBJDFMSIGFKU-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.28
Rot. Bonds5

About 4-ethylsulfonyl-N-phenylbenzenesulfonamide

4-ethylsulfonyl-N-phenylbenzenesulfonamide (PubChem CID 87026098) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-phenylbenzenesulfonamide
PubChem CID87026098
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name4-ethylsulfonyl-N-phenylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H15NO4S2/c1-2-20(16,17)13-8-10-14(11-9-13)21(18,19)15-12-6-4-3-5-7-12/h3-11,15H,2H2,1H3
InChIKeyPFQBJDFMSIGFKU-UHFFFAOYSA-N
XLogP2.28
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid
CID 71294674
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 17487398
4-(phenylsulfamoyl)benzoate
CID 6997297

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-ethylsulfonyl-N-phenylbenzenesulfonamide (CID 87026098) is 4-ethylsulfonyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-ethylsulfonyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-ethylsulfonyl-N-phenylbenzenesulfonamide is CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-phenylbenzenesulfonamide?
The InChIKey is PFQBJDFMSIGFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-2-20(16,17)13-8-10-14(11-9-13)21(18,19)15-12-6-4-3-5-7-12/h3-11,15H,2H2,1H3.
What are the key properties of 4-ethylsulfonyl-N-phenylbenzenesulfonamide?
4-ethylsulfonyl-N-phenylbenzenesulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 87026098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).