(E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide

C17H18ClNO2S — CID 56541872

IUPAC(E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide
SMILESCC(C)N(c1ccccc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-14(2)19(17-6-4-3-5-7-17)22(20,21)13-12-15-8-10-16(18)11-9-15/h3-14H,1-2H3/b13-12+
InChIKeyMPTCEFKXILNOJG-OUKQBFOZSA-N
MW335.86 g/mol
LogP4.56
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide

(E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide (PubChem CID 56541872) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide
PubChem CID56541872
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide
SMILESCC(C)N(c1ccccc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-14(2)19(17-6-4-3-5-7-17)22(20,21)13-12-15-8-10-16(18)11-9-15/h3-14H,1-2H3/b13-12+
InChIKeyMPTCEFKXILNOJG-OUKQBFOZSA-N
XLogP4.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide (CID 56541872) is (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide is CC(C)N(c1ccccc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide?
The InChIKey is MPTCEFKXILNOJG-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-14(2)19(17-6-4-3-5-7-17)22(20,21)13-12-15-8-10-16(18)11-9-15/h3-14H,1-2H3/b13-12+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide has a molecular weight of 335.86 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide is sourced from PubChem (CID 56541872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).