N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide

C19H20BrN3O3S — CID 2589638

IUPACN-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NN=Cc1ccccc1Br)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H20BrN3O3S/c20-18-10-3-2-7-16(18)14-21-22-19(24)15-8-6-9-17(13-15)27(25,26)23-11-4-1-5-12-23/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,22,24)
InChIKeyYIFPQWNWXYDXSF-UHFFFAOYSA-N
MW450.36 g/mol
LogP3.39
Rot. Bonds5

About N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide

N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2589638) has the molecular formula C19H20BrN3O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2589638
Molecular FormulaC19H20BrN3O3S
Molecular Weight450.36 g/mol
Exact Mass449.04
IUPAC NameN-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NN=Cc1ccccc1Br)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H20BrN3O3S/c20-18-10-3-2-7-16(18)14-21-22-19(24)15-8-6-9-17(13-15)27(25,26)23-11-4-1-5-12-23/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,22,24)
InChIKeyYIFPQWNWXYDXSF-UHFFFAOYSA-N
XLogP3.39
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135675587
N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide
CID 2589458
N-[(E)-(4-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907579
N-[(2,4-difluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589534
3-pyrrolidin-1-ylsulfonyl-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3351049
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907606
N-[(4-methylsulfanylphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 5099990
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135622247
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6909722
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589258
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589241
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589477

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide (CID 2589638) is N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is O=C(NN=Cc1ccccc1Br)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is YIFPQWNWXYDXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3S/c20-18-10-3-2-7-16(18)14-21-22-19(24)15-8-6-9-17(13-15)27(25,26)23-11-4-1-5-12-23/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,22,24).
What are the key properties of N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide?
N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 450.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2589638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).