4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide

C14H11Cl2NO2S — CID 71332008

IUPAC4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide
SMILESO=S(=O)(NC=C(Cl)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NO2S/c15-12-6-8-13(9-7-12)20(18,19)17-10-14(16)11-4-2-1-3-5-11/h1-10,17H
InChIKeyBLPIZPJPTIGHGD-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.86
Rot. Bonds4

About 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide

4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide (PubChem CID 71332008) has the molecular formula C14H11Cl2NO2S and a molecular weight of 328.22 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide
PubChem CID71332008
Molecular FormulaC14H11Cl2NO2S
Molecular Weight328.22 g/mol
Exact Mass326.99
IUPAC Name4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide
SMILESO=S(=O)(NC=C(Cl)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NO2S/c15-12-6-8-13(9-7-12)20(18,19)17-10-14(16)11-4-2-1-3-5-11/h1-10,17H
InChIKeyBLPIZPJPTIGHGD-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 2830707
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one
CID 2825843
benzene;4-chlorobenzenesulfonic acid
CID 159988924
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 136697043
4-chloro-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 135647860
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide (CID 71332008) is 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide is O=S(=O)(NC=C(Cl)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide?
The InChIKey is BLPIZPJPTIGHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2S/c15-12-6-8-13(9-7-12)20(18,19)17-10-14(16)11-4-2-1-3-5-11/h1-10,17H.
What are the key properties of 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide?
4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide has a molecular weight of 328.22 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide is sourced from PubChem (CID 71332008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).