3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide

C23H24ClNO4S2 — CID 66979070

IUPAC3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H24ClNO4S2/c1-30(26,27)22-14-12-20(13-15-22)18-25(16-6-9-19-7-3-2-4-8-19)31(28,29)23-11-5-10-21(24)17-23/h2-5,7-8,10-15,17H,6,9,16,18H2,1H3
InChIKeyJJCXZHNBUJUCOM-UHFFFAOYSA-N
MW478.04 g/mol
LogP4.57
Rot. Bonds9

About 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide

3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 66979070) has the molecular formula C23H24ClNO4S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID66979070
Molecular FormulaC23H24ClNO4S2
Molecular Weight478.04 g/mol
Exact Mass477.08
IUPAC Name3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H24ClNO4S2/c1-30(26,27)22-14-12-20(13-15-22)18-25(16-6-9-19-7-3-2-4-8-19)31(28,29)23-11-5-10-21(24)17-23/h2-5,7-8,10-15,17H,6,9,16,18H2,1H3
InChIKeyJJCXZHNBUJUCOM-UHFFFAOYSA-N
XLogP4.57
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide (CID 66979070) is 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide is CS(=O)(=O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is JJCXZHNBUJUCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO4S2/c1-30(26,27)22-14-12-20(13-15-22)18-25(16-6-9-19-7-3-2-4-8-19)31(28,29)23-11-5-10-21(24)17-23/h2-5,7-8,10-15,17H,6,9,16,18H2,1H3.
What are the key properties of 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide?
3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 478.04 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 66979070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).