N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide

C15H17N5O6S2 — CID 118710606

IUPACN-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)
InChIKeySLXISPBWGNJGMA-UHFFFAOYSA-N
MW427.46 g/mol
LogP0.31
Rot. Bonds6

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

N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide (PubChem CID 118710606) has the molecular formula C15H17N5O6S2 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
PubChem CID118710606
Molecular FormulaC15H17N5O6S2
Molecular Weight427.46 g/mol
Exact Mass427.06
IUPAC NameN-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)
InChIKeySLXISPBWGNJGMA-UHFFFAOYSA-N
XLogP0.31
TPSA176.56 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 50.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
N-[4-(hydrazinosulfonyl)phenyl]acetamide
CID 219396
4-Acetamidobenzenesulfonyl azide
CID 5129185
N-(4-sulfamoylphenyl)-3-({2-[(4-sulfamoylphenyl)carbamoyl]ethyl}disulfanyl)propanamide
CID 16082752
1-(Benzenesulfonamido)-3-(4-sulfamoylphenyl)urea
CID 118710598
1-[(4-Fluorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710599
1-[(4-Chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710600
1-[(4-Bromophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710601
1-[(4-Methylphenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710602
1-[(4-Nitrophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710603
4-[(aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide
CID 397555
N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 669166

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide (CID 118710606) is N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide?
The InChIKey is SLXISPBWGNJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22).
What are the key properties of N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide has a molecular weight of 427.46 g/mol, XLogP of 0.31, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-sulfamoylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 118710606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).