2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide

C15H17Cl2NO3S2 — CID 100723482

IUPAC2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccc([C@H](C)O)s2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO3S2/c1-9-7-15(13(17)8-12(9)16)23(20,21)18-6-5-11-3-4-14(22-11)10(2)19/h3-4,7-8,10,18-19H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyJROYPOBOYODAQG-JTQLQIEISA-N
MW394.35 g/mol
LogP3.94
Rot. Bonds6

About 2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide (PubChem CID 100723482) has the molecular formula C15H17Cl2NO3S2 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide
PubChem CID100723482
Molecular FormulaC15H17Cl2NO3S2
Molecular Weight394.35 g/mol
Exact Mass393.00
IUPAC Name2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccc([C@H](C)O)s2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO3S2/c1-9-7-15(13(17)8-12(9)16)23(20,21)18-6-5-11-3-4-14(22-11)10(2)19/h3-4,7-8,10,18-19H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyJROYPOBOYODAQG-JTQLQIEISA-N
XLogP3.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.94
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-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide (CID 100723482) is 2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2ccc([C@H](C)O)s2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide?
The InChIKey is JROYPOBOYODAQG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17Cl2NO3S2/c1-9-7-15(13(17)8-12(9)16)23(20,21)18-6-5-11-3-4-14(22-11)10(2)19/h3-4,7-8,10,18-19H,5-6H2,1-2H3/t10-/m0/s1.
What are the key properties of 2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide has a molecular weight of 394.35 g/mol, XLogP of 3.94, 6 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-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 100723482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).