4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide

C77H66Br4N20O10S4 — CID 159067572

IUPAC4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.NS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1
InChIInChI=1S/2C20H18BrN5O3S.C19H16BrN5O2S.C18H14BrN5O2S/c2*21-17-13-22-26-19(12-18(25-20(17)26)14-4-2-1-3-5-14)24-15-6-8-16(9-7-15)30(28,29)23-10-11-27;1-21-28(26,27)15-9-7-14(8-10-15)23-18-11-17(13-5-3-2-4-6-13)24-19-16(20)12-22-25(18)19;19-15-11-21-24-17(22-13-6-8-14(9-7-13)27(20,25)26)10-16(23-18(15)24)12-4-2-1-3-5-12/h2*1-9,12-13,23-24,27H,10-11H2;2-12,21,23H,1H3;1-11,22H,(H2,20,25,26)
InChIKeyJZGFWBOYJLNCDR-UHFFFAOYSA-N
MW1879.39 g/mol
LogP13.71
Rot. Bonds23

About 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide

4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 159067572) has the molecular formula C77H66Br4N20O10S4 and a molecular weight of 1879.39 g/mol. Its IUPAC name is 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide
PubChem CID159067572
Molecular FormulaC77H66Br4N20O10S4
Molecular Weight1879.39 g/mol
Exact Mass1874.09
IUPAC Name4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.NS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1
InChIInChI=1S/2C20H18BrN5O3S.C19H16BrN5O2S.C18H14BrN5O2S/c2*21-17-13-22-26-19(12-18(25-20(17)26)14-4-2-1-3-5-14)24-15-6-8-16(9-7-15)30(28,29)23-10-11-27;1-21-28(26,27)15-9-7-14(8-10-15)23-18-11-17(13-5-3-2-4-6-13)24-19-16(20)12-22-25(18)19;19-15-11-21-24-17(22-13-6-8-14(9-7-13)27(20,25)26)10-16(23-18(15)24)12-4-2-1-3-5-12/h2*1-9,12-13,23-24,27H,10-11H2;2-12,21,23H,1H3;1-11,22H,(H2,20,25,26)
InChIKeyJZGFWBOYJLNCDR-UHFFFAOYSA-N
XLogP13.71
TPSA408.01 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001879.39
LogP ≤ 513.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 10480592
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N'-methylbenzenesulfonohydrazide
CID 71192931
3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118131950
N-(1,3-dihydroxypropan-2-yl)-4-[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 71192990
4-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 70879540
N-[4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]sulfanyl-N',N'-dimethylethane-1,2-diamine
CID 142876629
3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10435170
N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 163872773
N-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 21067490
3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxypropyl)benzenesulfinamide
CID 142876703
3-bromo-N-[4-(cyclohexylamino)sulfanylphenyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142876582
3-bromo-5-[(2-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71198322

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide (CID 159067572) is 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.NS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.
What is the InChIKey of 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is JZGFWBOYJLNCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18BrN5O3S.C19H16BrN5O2S.C18H14BrN5O2S/c2*21-17-13-22-26-19(12-18(25-20(17)26)14-4-2-1-3-5-14)24-15-6-8-16(9-7-15)30(28,29)23-10-11-27;1-21-28(26,27)15-9-7-14(8-10-15)23-18-11-17(13-5-3-2-4-6-13)24-19-16(20)12-22-25(18)19;19-15-11-21-24-17(22-13-6-8-14(9-7-13)27(20,25)26)10-16(23-18(15)24)12-4-2-1-3-5-12/h2*1-9,12-13,23-24,27H,10-11H2;2-12,21,23H,1H3;1-11,22H,(H2,20,25,26).
What are the key properties of 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide?
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 1879.39 g/mol, XLogP of 13.71, 23 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 159067572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).