2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide

C14H15Cl2NO3S2 — CID 71782485

IUPAC2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)c2cccs2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO3S2/c1-9-6-12(11(16)7-10(9)15)22(19,20)17-8-14(2,18)13-4-3-5-21-13/h3-7,17-18H,8H2,1-2H3
InChIKeyMJQHLWWTDRACKZ-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.55
Rot. Bonds5

About 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide (PubChem CID 71782485) has the molecular formula C14H15Cl2NO3S2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide
PubChem CID71782485
Molecular FormulaC14H15Cl2NO3S2
Molecular Weight380.32 g/mol
Exact Mass378.99
IUPAC Name2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(O)c2cccs2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO3S2/c1-9-6-12(11(16)7-10(9)15)22(19,20)17-8-14(2,18)13-4-3-5-21-13/h3-7,17-18H,8H2,1-2H3
InChIKeyMJQHLWWTDRACKZ-UHFFFAOYSA-N
XLogP3.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide (CID 71782485) is 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)(O)c2cccs2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide?
The InChIKey is MJQHLWWTDRACKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3S2/c1-9-6-12(11(16)7-10(9)15)22(19,20)17-8-14(2,18)13-4-3-5-21-13/h3-7,17-18H,8H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide has a molecular weight of 380.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 71782485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).