3-amino-N-(4-sulfamoylphenyl)propanamide

C9H13N3O3S — CID 10776616

IUPAC3-amino-N-(4-sulfamoylphenyl)propanamide
SMILESNCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5-6,10H2,(H,12,13)(H2,11,14,15)
InChIKeyXFUUVDPIYDGQRM-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.38
Rot. Bonds4

About 3-amino-N-(4-sulfamoylphenyl)propanamide

3-amino-N-(4-sulfamoylphenyl)propanamide (PubChem CID 10776616) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-amino-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-sulfamoylphenyl)propanamide
PubChem CID10776616
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-amino-N-(4-sulfamoylphenyl)propanamide
SMILESNCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5-6,10H2,(H,12,13)(H2,11,14,15)
InChIKeyXFUUVDPIYDGQRM-UHFFFAOYSA-N
XLogP-0.38
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25038576
3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 160701153

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-amino-N-(4-sulfamoylphenyl)propanamide (CID 10776616) is 3-amino-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-amino-N-(4-sulfamoylphenyl)propanamide is NCCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-amino-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is XFUUVDPIYDGQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5-6,10H2,(H,12,13)(H2,11,14,15).
What are the key properties of 3-amino-N-(4-sulfamoylphenyl)propanamide?
3-amino-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 243.29 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 10776616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).