N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide

C9H9ClN4O5S2 — CID 168520102

IUPACN-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C9H9ClN4O5S2/c10-5-3-6(14-9(15)1-2-11)8(21(13,18)19)4-7(5)20(12,16)17/h3-4H,1H2,(H,14,15)(H2,12,16,17)(H2,13,18,19)
InChIKeyRVAWYBUKGXBRLH-UHFFFAOYSA-N
MW352.78 g/mol
LogP-0.51
Rot. Bonds4

About N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide

N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide (PubChem CID 168520102) has the molecular formula C9H9ClN4O5S2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide
PubChem CID168520102
Molecular FormulaC9H9ClN4O5S2
Molecular Weight352.78 g/mol
Exact Mass351.97
IUPAC NameN-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C9H9ClN4O5S2/c10-5-3-6(14-9(15)1-2-11)8(21(13,18)19)4-7(5)20(12,16)17/h3-4H,1H2,(H,14,15)(H2,12,16,17)(H2,13,18,19)
InChIKeyRVAWYBUKGXBRLH-UHFFFAOYSA-N
XLogP-0.51
TPSA173.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
CID 71418116
[4-[2-(5-chloro-2,4-disulfamoylanilino)-2-oxoethyl]phenyl]methyl nitrate
CID 11952431
N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide
CID 101117427
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide
CID 134098190
N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(5-chloro-2,4-disulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate
CID 10792692
N-(4-chloro-5-fluoro-2-hydroxyphenyl)-2-cyanoacetamide
CID 168522906
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
2-cyano-N-(2,5-dichloro-4-nitrophenyl)acetamide
CID 168520132

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide?
The IUPAC name of N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide (CID 168520102) is N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide?
The canonical SMILES for N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide is N#CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide?
The InChIKey is RVAWYBUKGXBRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O5S2/c10-5-3-6(14-9(15)1-2-11)8(21(13,18)19)4-7(5)20(12,16)17/h3-4H,1H2,(H,14,15)(H2,12,16,17)(H2,13,18,19).
What are the key properties of N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide?
N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide has a molecular weight of 352.78 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide is sourced from PubChem (CID 168520102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).