N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide

C16H14BrN3O3S2 — CID 154840457

IUPACN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)s1
InChIInChI=1S/C16H14BrN3O3S2/c1-10-6-11(2)24-15(10)25(21,22)20-13-4-3-5-14(7-13)23-16-18-8-12(17)9-19-16/h3-9,20H,1-2H3
InChIKeyTVXXTLTVWMYHBP-UHFFFAOYSA-N
MW440.34 g/mol
LogP4.51
Rot. Bonds5

About N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide

N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide (PubChem CID 154840457) has the molecular formula C16H14BrN3O3S2 and a molecular weight of 440.34 g/mol. Its IUPAC name is N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide
PubChem CID154840457
Molecular FormulaC16H14BrN3O3S2
Molecular Weight440.34 g/mol
Exact Mass438.97
IUPAC NameN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)s1
InChIInChI=1S/C16H14BrN3O3S2/c1-10-6-11(2)24-15(10)25(21,22)20-13-4-3-5-14(7-13)23-16-18-8-12(17)9-19-16/h3-9,20H,1-2H3
InChIKeyTVXXTLTVWMYHBP-UHFFFAOYSA-N
XLogP4.51
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine
CID 14347094
N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine
CID 14347147
6-[(4-Bromothiophen-2-YL)methyl]-N-(3-methoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-amine
CID 46345907
N-[3-(difluoromethoxy)phenyl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine
CID 59468363
N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 39336193
5-ethyl-N-(2-(2-fluorophenoxy)pyrimidin-5-yl)thiophene-2-sulfonamide
CID 122303123
N-(2-(2-fluorophenoxy)pyrimidin-5-yl)-5-methylthiophene-2-sulfonamide
CID 122303124
5-bromo-N-(2-(2-fluorophenoxy)pyrimidin-5-yl)thiophene-2-sulfonamide
CID 122303139
2-(4-Methylsulfonylphenoxy)-5-thiophen-2-ylpyrimidine
CID 3497208
N-(4-methoxyphenyl)-5-thiophen-2-ylpyrimidin-2-amine
CID 4146707
3-(5-Thiophen-2-ylpyrimidin-2-yl)oxyaniline
CID 4459970

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide (CID 154840457) is N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)s1.
What is the InChIKey of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide?
The InChIKey is TVXXTLTVWMYHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3S2/c1-10-6-11(2)24-15(10)25(21,22)20-13-4-3-5-14(7-13)23-16-18-8-12(17)9-19-16/h3-9,20H,1-2H3.
What are the key properties of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide?
N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide has a molecular weight of 440.34 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 154840457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).