2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide

C17H13Cl2N3O2S — CID 122262163

IUPAC2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)ncn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3O2S/c18-13-6-7-15(19)17(8-13)25(23,24)22-10-14-9-16(21-11-20-14)12-4-2-1-3-5-12/h1-9,11,22H,10H2
InChIKeyZHEBKMKJMKYFOX-UHFFFAOYSA-N
MW394.28 g/mol
LogP3.93
Rot. Bonds5

About 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide

2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 122262163) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID122262163
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)ncn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3O2S/c18-13-6-7-15(19)17(8-13)25(23,24)22-10-14-9-16(21-11-20-14)12-4-2-1-3-5-12/h1-9,11,22H,10H2
InChIKeyZHEBKMKJMKYFOX-UHFFFAOYSA-N
XLogP3.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 122262182
2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262156
2-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122262679
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
N-[(6-phenylpyrimidin-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122262229
3-chloro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 122263199
3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 122262152
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
CID 1480826
2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042045
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 122262719
3,4-difluoro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122263214

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 122262163) is 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cc(-c2ccccc2)ncn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZHEBKMKJMKYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c18-13-6-7-15(19)17(8-13)25(23,24)22-10-14-9-16(21-11-20-14)12-4-2-1-3-5-12/h1-9,11,22H,10H2.
What are the key properties of 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 394.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122262163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).