N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide

C14H16N4O5S2 — CID 3595344

IUPACN-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N4O5S2/c1-10(19)16-11-2-8-14(9-3-11)25(22,23)18-17-12-4-6-13(7-5-12)24(15,20)21/h2-9,17-18H,1H3,(H,16,19)(H2,15,20,21)
InChIKeyCYJCRDHGXBEJHL-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.60
Rot. Bonds6

About N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide

N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide (PubChem CID 3595344) has the molecular formula C14H16N4O5S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
PubChem CID3595344
Molecular FormulaC14H16N4O5S2
Molecular Weight384.44 g/mol
Exact Mass384.06
IUPAC NameN-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N4O5S2/c1-10(19)16-11-2-8-14(9-3-11)25(22,23)18-17-12-4-6-13(7-5-12)24(15,20)21/h2-9,17-18H,1H3,(H,16,19)(H2,15,20,21)
InChIKeyCYJCRDHGXBEJHL-UHFFFAOYSA-N
XLogP0.60
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-bromoanilino)sulfamoyl]phenyl]acetamide
CID 118706841
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 67951859
CID 57349684
CID 57349684
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea
CID 47120702
[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
CID 175278982
4-acetamidobenzenesulfonic acid chloride
CID 53446633

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide (CID 3595344) is N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide?
The InChIKey is CYJCRDHGXBEJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S2/c1-10(19)16-11-2-8-14(9-3-11)25(22,23)18-17-12-4-6-13(7-5-12)24(15,20)21/h2-9,17-18H,1H3,(H,16,19)(H2,15,20,21).
What are the key properties of N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide?
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3595344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).