3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide

C17H17ClN2O4S2 — CID 71835094

IUPAC3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(C=Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H17ClN2O4S2/c18-14-6-4-13(5-7-14)10-11-25(21,22)19-16-2-1-3-17(12-16)26(23,24)20-15-8-9-15/h1-7,10-12,15,19-20H,8-9H2
InChIKeyDBLZSTGPOWOVNB-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.19
Rot. Bonds7

About 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide

3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide (PubChem CID 71835094) has the molecular formula C17H17ClN2O4S2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide
PubChem CID71835094
Molecular FormulaC17H17ClN2O4S2
Molecular Weight412.92 g/mol
Exact Mass412.03
IUPAC Name3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(C=Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H17ClN2O4S2/c18-14-6-4-13(5-7-14)10-11-25(21,22)19-16-2-1-3-17(12-16)26(23,24)20-15-8-9-15/h1-7,10-12,15,19-20H,8-9H2
InChIKeyDBLZSTGPOWOVNB-UHFFFAOYSA-N
XLogP3.19
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide (CID 71835094) is 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide is O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide?
The InChIKey is DBLZSTGPOWOVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S2/c18-14-6-4-13(5-7-14)10-11-25(21,22)19-16-2-1-3-17(12-16)26(23,24)20-15-8-9-15/h1-7,10-12,15,19-20H,8-9H2.
What are the key properties of 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide?
3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide has a molecular weight of 412.92 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 71835094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).