N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide

C21H24BrN3O4S — CID 37019523

IUPACN-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H24BrN3O4S/c22-17-6-8-19(9-7-17)30(28,29)23-13-10-20(26)25-14-11-18(12-15-25)24-21(27)16-4-2-1-3-5-16/h1-9,18,23H,10-15H2,(H,24,27)
InChIKeyCISQXMWRCWOQLU-UHFFFAOYSA-N
MW494.41 g/mol
LogP2.54
Rot. Bonds7

About N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide

N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide (PubChem CID 37019523) has the molecular formula C21H24BrN3O4S and a molecular weight of 494.41 g/mol. Its IUPAC name is N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide
PubChem CID37019523
Molecular FormulaC21H24BrN3O4S
Molecular Weight494.41 g/mol
Exact Mass493.07
IUPAC NameN-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H24BrN3O4S/c22-17-6-8-19(9-7-17)30(28,29)23-13-10-20(26)25-14-11-18(12-15-25)24-21(27)16-4-2-1-3-5-16/h1-9,18,23H,10-15H2,(H,24,27)
InChIKeyCISQXMWRCWOQLU-UHFFFAOYSA-N
XLogP2.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
CID 53103840
N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
CID 90589242
(3S)-1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830900
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
3-bromo-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 29262191
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119485949

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide (CID 37019523) is N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide?
The InChIKey is CISQXMWRCWOQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O4S/c22-17-6-8-19(9-7-17)30(28,29)23-13-10-20(26)25-14-11-18(12-15-25)24-21(27)16-4-2-1-3-5-16/h1-9,18,23H,10-15H2,(H,24,27).
What are the key properties of N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide?
N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide has a molecular weight of 494.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 37019523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).