2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide

C19H24BrN5O4S — CID 24789930

IUPAC2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
SMILESCOc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cc(Br)cnc3N)CC2)cc1
InChIInChI=1S/C19H24BrN5O4S/c1-29-16-4-2-15(3-5-16)24-8-10-25(11-9-24)18(26)6-7-23-30(27,28)17-12-14(20)13-22-19(17)21/h2-5,12-13,23H,6-11H2,1H3,(H2,21,22)
InChIKeyIYZKOIAYMFIGQN-UHFFFAOYSA-N
MW498.40 g/mol
LogP1.45
Rot. Bonds7

About 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide (PubChem CID 24789930) has the molecular formula C19H24BrN5O4S and a molecular weight of 498.40 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
PubChem CID24789930
Molecular FormulaC19H24BrN5O4S
Molecular Weight498.40 g/mol
Exact Mass497.07
IUPAC Name2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
SMILESCOc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cc(Br)cnc3N)CC2)cc1
InChIInChI=1S/C19H24BrN5O4S/c1-29-16-4-2-15(3-5-16)24-8-10-25(11-9-24)18(26)6-7-23-30(27,28)17-12-14(20)13-22-19(17)21/h2-5,12-13,23H,6-11H2,1H3,(H2,21,22)
InChIKeyIYZKOIAYMFIGQN-UHFFFAOYSA-N
XLogP1.45
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
CID 46272050
N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 55917647
4-ethoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 3331081
2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
CID 46272025
ethyl (3S)-1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-3-carboxylate
CID 92504863
4-fluoro-N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55956692
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
3-(2,5-dimethoxyanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033715
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3240670
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
2,5-dibromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 60629358

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide (CID 24789930) is 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide is COc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cc(Br)cnc3N)CC2)cc1.
What is the InChIKey of 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
The InChIKey is IYZKOIAYMFIGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O4S/c1-29-16-4-2-15(3-5-16)24-8-10-25(11-9-24)18(26)6-7-23-30(27,28)17-12-14(20)13-22-19(17)21/h2-5,12-13,23H,6-11H2,1H3,(H2,21,22).
What are the key properties of 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide has a molecular weight of 498.40 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 24789930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).