3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide

C19H14ClN5O3S — CID 122311973

IUPAC3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H14ClN5O3S/c20-14-2-1-3-17(10-14)29(26,27)24-15-4-6-16(7-5-15)28-19-11-18(22-12-23-19)25-9-8-21-13-25/h1-13,24H
InChIKeyUDGCXRBYNAPPEM-UHFFFAOYSA-N
MW427.87 g/mol
LogP3.91
Rot. Bonds6

About 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide

3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122311973) has the molecular formula C19H14ClN5O3S and a molecular weight of 427.87 g/mol. Its IUPAC name is 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
PubChem CID122311973
Molecular FormulaC19H14ClN5O3S
Molecular Weight427.87 g/mol
Exact Mass427.05
IUPAC Name3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H14ClN5O3S/c20-14-2-1-3-17(10-14)29(26,27)24-15-4-6-16(7-5-15)28-19-11-18(22-12-23-19)25-9-8-21-13-25/h1-13,24H
InChIKeyUDGCXRBYNAPPEM-UHFFFAOYSA-N
XLogP3.91
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312186
2-bromo-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312181
3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309116
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122312170
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311868
5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122309092
3,4-difluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309872
3-chloro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309917
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide (CID 122311973) is 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is UDGCXRBYNAPPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3S/c20-14-2-1-3-17(10-14)29(26,27)24-15-4-6-16(7-5-15)28-19-11-18(22-12-23-19)25-9-8-21-13-25/h1-13,24H.
What are the key properties of 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 427.87 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122311973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).