2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide

C17H21N5O4S — CID 10200467

IUPAC2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
SMILESNC(N)=NOCCNC(=O)Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H21N5O4S/c18-17(19)21-26-10-9-20-16(23)12-13-5-4-6-14(11-13)22-27(24,25)15-7-2-1-3-8-15/h1-8,11,22H,9-10,12H2,(H,20,23)(H4,18,19,21)
InChIKeyVYRGGCPQARBDSM-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.35
Rot. Bonds9

About 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide

2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide (PubChem CID 10200467) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
PubChem CID10200467
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
SMILESNC(N)=NOCCNC(=O)Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H21N5O4S/c18-17(19)21-26-10-9-20-16(23)12-13-5-4-6-14(11-13)22-27(24,25)15-7-2-1-3-8-15/h1-8,11,22H,9-10,12H2,(H,20,23)(H4,18,19,21)
InChIKeyVYRGGCPQARBDSM-UHFFFAOYSA-N
XLogP0.35
TPSA148.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-(benzylsulfonylamino)-2-chlorophenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide;methane
CID 159417417
CID 158961774
CID 158961774
2-[5-(benzylsulfonylamino)-2-chlorophenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide;2,2,2-trifluoroacetaldehyde
CID 158159915
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 15887336
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
2-[3-[(3-bromophenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide;2,2,2-trifluoroacetic acid
CID 87781600
N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide
CID 91173102
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide (CID 10200467) is 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide is NC(N)=NOCCNC(=O)Cc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide?
The InChIKey is VYRGGCPQARBDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c18-17(19)21-26-10-9-20-16(23)12-13-5-4-6-14(11-13)22-27(24,25)15-7-2-1-3-8-15/h1-8,11,22H,9-10,12H2,(H,20,23)(H4,18,19,21).
What are the key properties of 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide?
2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 0.35, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide is sourced from PubChem (CID 10200467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).