3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide

C10H13N3O4S — CID 61250335

IUPAC3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
SMILESCC(=O)CC(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C10H13N3O4S/c1-7(14)5-10(15)12-8-3-2-4-9(6-8)13-18(11,16)17/h2-4,6,13H,5H2,1H3,(H,12,15)(H2,11,16,17)
InChIKeyHMGYTPQCZASMPB-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.22
Rot. Bonds5

About 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide

3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide (PubChem CID 61250335) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
PubChem CID61250335
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
SMILESCC(=O)CC(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C10H13N3O4S/c1-7(14)5-10(15)12-8-3-2-4-9(6-8)13-18(11,16)17/h2-4,6,13H,5H2,1H3,(H,12,15)(H2,11,16,17)
InChIKeyHMGYTPQCZASMPB-UHFFFAOYSA-N
XLogP0.22
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 107908922
2-(2-aminoethoxy)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 79473135
2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 103520061
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
CID 62726620
2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 61128214
3-oxo-N-phenylbutanamide
CID 161275903
3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729874
2-(oxolan-2-yl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 47211352
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide
CID 60728386
N-(3-nitrosophenyl)-3-oxobutanamide
CID 163535086
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide?
The IUPAC name of 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide (CID 61250335) is 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide.
What is the SMILES notation for 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide?
The canonical SMILES for 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide is CC(=O)CC(=O)Nc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide?
The InChIKey is HMGYTPQCZASMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-7(14)5-10(15)12-8-3-2-4-9(6-8)13-18(11,16)17/h2-4,6,13H,5H2,1H3,(H,12,15)(H2,11,16,17).
What are the key properties of 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide?
3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide has a molecular weight of 271.30 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide is sourced from PubChem (CID 61250335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).