N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C17H17BrN2O4S — CID 60513205

IUPACN-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(Br)cc1O
InChIInChI=1S/C17H17BrN2O4S/c18-14-6-7-15(16(21)12-14)20-17(22)8-10-19-25(23,24)11-9-13-4-2-1-3-5-13/h1-7,9,11-12,19,21H,8,10H2,(H,20,22)/b11-9+
InChIKeyNLRCKJDKBBZHGE-PKNBQFBNSA-N
MW425.30 g/mol
LogP3.07
Rot. Bonds7

About N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 60513205) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID60513205
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC NameN-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(Br)cc1O
InChIInChI=1S/C17H17BrN2O4S/c18-14-6-7-15(16(21)12-14)20-17(22)8-10-19-25(23,24)11-9-13-4-2-1-3-5-13/h1-7,9,11-12,19,21H,8,10H2,(H,20,22)/b11-9+
InChIKeyNLRCKJDKBBZHGE-PKNBQFBNSA-N
XLogP3.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27649780
N-(4-bromo-2-hydroxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 60513132
tert-butyl N-[3-(4-bromo-2-hydroxyanilino)-3-oxopropyl]carbamate
CID 162755844
N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide
CID 55854406
N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 34304081
N-(2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 7602988
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 38807911
3-[[(E)-2-phenylethenyl]sulfonylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 30395262
N-(2-fluorophenyl)-2-[[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42766043
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 51164887
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide
CID 55975784

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 60513205) is N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(Br)cc1O.
What is the InChIKey of N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is NLRCKJDKBBZHGE-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c18-14-6-7-15(16(21)12-14)20-17(22)8-10-19-25(23,24)11-9-13-4-2-1-3-5-13/h1-7,9,11-12,19,21H,8,10H2,(H,20,22)/b11-9+.
What are the key properties of N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 425.30 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 60513205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).