5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide

C18H13ClN4O3S2 — CID 122309092

IUPAC5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C18H13ClN4O3S2/c19-15-7-8-18(27-15)28(24,25)22-13-3-5-14(6-4-13)26-17-11-16(20-12-21-17)23-9-1-2-10-23/h1-12,22H
InChIKeyVOKRKDXFWCTMTO-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.58
Rot. Bonds6

About 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide (PubChem CID 122309092) has the molecular formula C18H13ClN4O3S2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
PubChem CID122309092
Molecular FormulaC18H13ClN4O3S2
Molecular Weight432.91 g/mol
Exact Mass432.01
IUPAC Name5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C18H13ClN4O3S2/c19-15-7-8-18(27-15)28(24,25)22-13-3-5-14(6-4-13)26-17-11-16(20-12-21-17)23-9-1-2-10-23/h1-12,22H
InChIKeyVOKRKDXFWCTMTO-UHFFFAOYSA-N
XLogP4.58
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
CID 122308945
3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309116
4-acetyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309101
5-bromo-2-ethoxy-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309189
5-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122306400
N-[[5-[[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122312172
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122311973
2-bromo-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312181
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687
1-(3-chlorophenyl)-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308884
N-[5-[[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122309910
2,5-dichloro-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309310

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide (CID 122309092) is 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
The InChIKey is VOKRKDXFWCTMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3S2/c19-15-7-8-18(27-15)28(24,25)22-13-3-5-14(6-4-13)26-17-11-16(20-12-21-17)23-9-1-2-10-23/h1-12,22H.
What are the key properties of 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide has a molecular weight of 432.91 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122309092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).