4-chloro-N-phenylbenzenesulfonamide;ethane

C16H22ClNO2S — CID 91229233

IUPAC4-chloro-N-phenylbenzenesulfonamide;ethane
SMILESCC.CC.O=S(=O)(Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2S.2C2H6/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11;2*1-2/h1-9,14H;2*1-2H3
InChIKeyVUAQLLIFUYLONH-UHFFFAOYSA-N
MW327.88 g/mol
LogP5.19
Rot. Bonds3

About 4-chloro-N-phenylbenzenesulfonamide;ethane

4-chloro-N-phenylbenzenesulfonamide;ethane (PubChem CID 91229233) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is 4-chloro-N-phenylbenzenesulfonamide;ethane.

Molecular Properties

Compound Name4-chloro-N-phenylbenzenesulfonamide;ethane
PubChem CID91229233
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC Name4-chloro-N-phenylbenzenesulfonamide;ethane
SMILESCC.CC.O=S(=O)(Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2S.2C2H6/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11;2*1-2/h1-9,14H;2*1-2H3
InChIKeyVUAQLLIFUYLONH-UHFFFAOYSA-N
XLogP5.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.88
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenylbenzenesulfonamide;ethane?
The IUPAC name of 4-chloro-N-phenylbenzenesulfonamide;ethane (CID 91229233) is 4-chloro-N-phenylbenzenesulfonamide;ethane.
What is the SMILES notation for 4-chloro-N-phenylbenzenesulfonamide;ethane?
The canonical SMILES for 4-chloro-N-phenylbenzenesulfonamide;ethane is CC.CC.O=S(=O)(Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-phenylbenzenesulfonamide;ethane?
The InChIKey is VUAQLLIFUYLONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S.2C2H6/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11;2*1-2/h1-9,14H;2*1-2H3.
What are the key properties of 4-chloro-N-phenylbenzenesulfonamide;ethane?
4-chloro-N-phenylbenzenesulfonamide;ethane has a molecular weight of 327.88 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenylbenzenesulfonamide;ethane is sourced from PubChem (CID 91229233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).