2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide

C14H16N4O5S2 — CID 10738795

IUPAC2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N4O5S2/c15-9-14(19)17-10-1-7-13(8-2-10)25(22,23)18-11-3-5-12(6-4-11)24(16,20)21/h1-8,18H,9,15H2,(H,17,19)(H2,16,20,21)
InChIKeyCPMVWEHWZXUYFV-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.03
Rot. Bonds6

About 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide

2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 10738795) has the molecular formula C14H16N4O5S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID10738795
Molecular FormulaC14H16N4O5S2
Molecular Weight384.44 g/mol
Exact Mass384.06
IUPAC Name2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N4O5S2/c15-9-14(19)17-10-1-7-13(8-2-10)25(22,23)18-11-3-5-12(6-4-11)24(16,20)21/h1-8,18H,9,15H2,(H,17,19)(H2,16,20,21)
InChIKeyCPMVWEHWZXUYFV-UHFFFAOYSA-N
XLogP0.03
TPSA161.45 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 ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide (CID 10738795) is 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide is NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is CPMVWEHWZXUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S2/c15-9-14(19)17-10-1-7-13(8-2-10)25(22,23)18-11-3-5-12(6-4-11)24(16,20)21/h1-8,18H,9,15H2,(H,17,19)(H2,16,20,21).
What are the key properties of 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide?
2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 10738795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).