N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide

C18H22ClNO2S — CID 10784150

IUPACN-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO2S/c1-13(2)23(21,22)20-12-14(3)15-4-6-16(7-5-15)17-8-10-18(19)11-9-17/h4-11,13-14,20H,12H2,1-3H3
InChIKeyUBMHJGAVMNNJPG-UHFFFAOYSA-N
MW351.90 g/mol
LogP4.44
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide

N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide (PubChem CID 10784150) has the molecular formula C18H22ClNO2S and a molecular weight of 351.90 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide
PubChem CID10784150
Molecular FormulaC18H22ClNO2S
Molecular Weight351.90 g/mol
Exact Mass351.11
IUPAC NameN-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO2S/c1-13(2)23(21,22)20-12-14(3)15-4-6-16(7-5-15)17-8-10-18(19)11-9-17/h4-11,13-14,20H,12H2,1-3H3
InChIKeyUBMHJGAVMNNJPG-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide (CID 10784150) is N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide?
The InChIKey is UBMHJGAVMNNJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2S/c1-13(2)23(21,22)20-12-14(3)15-4-6-16(7-5-15)17-8-10-18(19)11-9-17/h4-11,13-14,20H,12H2,1-3H3.
What are the key properties of N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide?
N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide has a molecular weight of 351.90 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)phenyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10784150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).