2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide

C16H12Cl2N2O2S — CID 86042045

IUPAC2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc2ccccc12)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O2S/c17-12-5-6-14(18)16(9-12)23(21,22)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-9,20H,10H2
InChIKeyCGYBMMNLNUDGLH-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.02
Rot. Bonds4

About 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide

2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide (PubChem CID 86042045) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide
PubChem CID86042045
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC Name2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc2ccccc12)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O2S/c17-12-5-6-14(18)16(9-12)23(21,22)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-9,20H,10H2
InChIKeyCGYBMMNLNUDGLH-UHFFFAOYSA-N
XLogP4.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042080
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
CID 110734274
1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
CID 110734278
2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262163
2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
CID 86952203
2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190612
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43550315

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide (CID 86042045) is 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccnc2ccccc12)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The InChIKey is CGYBMMNLNUDGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c17-12-5-6-14(18)16(9-12)23(21,22)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-9,20H,10H2.
What are the key properties of 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide?
2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide has a molecular weight of 367.26 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 86042045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).