2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

C15H15BrN4O3S — CID 92511401

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1ccccn1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN4O3S/c1-20(24(22,23)14-7-5-12(16)6-8-14)11-15(21)19-18-10-13-4-2-3-9-17-13/h2-10H,11H2,1H3,(H,19,21)/b18-10-
InChIKeySOAPSEMTEJXRSK-ZDLGFXPLSA-N
MW411.28 g/mol
LogP1.61
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 92511401) has the molecular formula C15H15BrN4O3S and a molecular weight of 411.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID92511401
Molecular FormulaC15H15BrN4O3S
Molecular Weight411.28 g/mol
Exact Mass410.00
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1ccccn1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN4O3S/c1-20(24(22,23)14-7-5-12(16)6-8-14)11-15(21)19-18-10-13-4-2-3-9-17-13/h2-10H,11H2,1H3,(H,19,21)/b18-10-
InChIKeySOAPSEMTEJXRSK-ZDLGFXPLSA-N
XLogP1.61
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(pyridin-2-ylmethylideneamino)acetamide
CID 4041187
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136918340
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6884439
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92511275
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 92511293
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 92511368
2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6884438
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethylideneamino)benzamide
CID 3947692
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 126069197

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (CID 92511401) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is CN(CC(=O)N/N=C\c1ccccn1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is SOAPSEMTEJXRSK-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H15BrN4O3S/c1-20(24(22,23)14-7-5-12(16)6-8-14)11-15(21)19-18-10-13-4-2-3-9-17-13/h2-10H,11H2,1H3,(H,19,21)/b18-10-.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 411.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 92511401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).