N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide

C13H14N4O3S — CID 135421477

IUPACN-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C13H14N4O3S/c1-10(18)16-11-4-6-13(7-5-11)21(19,20)17-15-9-12-3-2-8-14-12/h2-9,14,17H,1H3,(H,16,18)/b15-9+
InChIKeyDBPPSMUQUPMLBG-OQLLNIDSSA-N
MW306.35 g/mol
LogP1.29
Rot. Bonds5

About N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 135421477) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID135421477
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C13H14N4O3S/c1-10(18)16-11-4-6-13(7-5-11)21(19,20)17-15-9-12-3-2-8-14-12/h2-9,14,17H,1H3,(H,16,18)/b15-9+
InChIKeyDBPPSMUQUPMLBG-OQLLNIDSSA-N
XLogP1.29
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
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-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
CID 720105
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
Sulfonamide deriv., 7g
CID 44520903
N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide
CID 2556847
N-(4-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491
4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide
CID 776658
2-[(phenylsulfonyl)amino]-N-(2-pyridylmethyl)acetamide
CID 891903
N-[4-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]phenyl]acetamide
CID 16251672
N-[4-[[[2-(2-Pyridinyl)ethyl]amino]sulfonyl]phenyl]acetamide
CID 2562500
N-[4-[((Pyridin-3-YL)methylideneamino)sulfamoyl]phenyl]acetamide
CID 5337691
N-[4-(1-pyridin-4-ylethylsulfamoyl)phenyl]acetamide
CID 16303393
2-(Benzenesulfonyl-methyl-amino)-N-pyridin-2-ylmethyl-acetamide
CID 890526

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide (CID 135421477) is N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc[nH]2)cc1.
What is the InChIKey of N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is DBPPSMUQUPMLBG-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-10(18)16-11-4-6-13(7-5-11)21(19,20)17-15-9-12-3-2-8-14-12/h2-9,14,17H,1H3,(H,16,18)/b15-9+.
What are the key properties of N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 306.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-1H-pyrrol-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 135421477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).