4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C15H18BrN5O3S — CID 58751569

IUPAC4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(Br)c(N3CCC(O)CC3)n2)cc1
InChIInChI=1S/C15H18BrN5O3S/c16-13-9-18-15(20-14(13)21-7-5-11(22)6-8-21)19-10-1-3-12(4-2-10)25(17,23)24/h1-4,9,11,22H,5-8H2,(H2,17,23,24)(H,18,19,20)
InChIKeyRYOUBGTYUKYYHW-UHFFFAOYSA-N
MW428.31 g/mol
LogP1.59
Rot. Bonds4

About 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 58751569) has the molecular formula C15H18BrN5O3S and a molecular weight of 428.31 g/mol. Its IUPAC name is 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID58751569
Molecular FormulaC15H18BrN5O3S
Molecular Weight428.31 g/mol
Exact Mass427.03
IUPAC Name4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(Br)c(N3CCC(O)CC3)n2)cc1
InChIInChI=1S/C15H18BrN5O3S/c16-13-9-18-15(20-14(13)21-7-5-11(22)6-8-21)19-10-1-3-12(4-2-10)25(17,23)24/h1-4,9,11,22H,5-8H2,(H2,17,23,24)(H,18,19,20)
InChIKeyRYOUBGTYUKYYHW-UHFFFAOYSA-N
XLogP1.59
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide
CID 67102003
4-[[5-bromo-4-[[(3S)-oxolan-3-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891201
[4-[5-bromo-2-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone
CID 59353531
4-[[5-bromo-4-[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891126
6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
CID 159668012
4-[[4-[(1R,2S)-2-hydroxycyclopentyl]oxy-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 167090041
4-[[5-bromo-4-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide;hydrochloride
CID 131801086
4-[[5-bromo-4-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 71732381
2-[[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 68897781
N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide
CID 25017565
1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol
CID 123614324

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 58751569) is 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc(Br)c(N3CCC(O)CC3)n2)cc1.
What is the InChIKey of 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is RYOUBGTYUKYYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O3S/c16-13-9-18-15(20-14(13)21-7-5-11(22)6-8-21)19-10-1-3-12(4-2-10)25(17,23)24/h1-4,9,11,22H,5-8H2,(H2,17,23,24)(H,18,19,20).
What are the key properties of 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 428.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 58751569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).