2-[(4-cyanophenyl)sulfamoylamino]acetic acid

C9H9N3O4S — CID 14363956

IUPAC2-[(4-cyanophenyl)sulfamoylamino]acetic acid
SMILESN#Cc1ccc(NS(=O)(=O)NCC(=O)O)cc1
InChIInChI=1S/C9H9N3O4S/c10-5-7-1-3-8(4-2-7)12-17(15,16)11-6-9(13)14/h1-4,11-12H,6H2,(H,13,14)
InChIKeyBMAVECISNKNKQJ-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.11
Rot. Bonds5

About 2-[(4-cyanophenyl)sulfamoylamino]acetic acid

2-[(4-cyanophenyl)sulfamoylamino]acetic acid (PubChem CID 14363956) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfamoylamino]acetic acid
PubChem CID14363956
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2-[(4-cyanophenyl)sulfamoylamino]acetic acid
SMILESN#Cc1ccc(NS(=O)(=O)NCC(=O)O)cc1
InChIInChI=1S/C9H9N3O4S/c10-5-7-1-3-8(4-2-7)12-17(15,16)11-6-9(13)14/h1-4,11-12H,6H2,(H,13,14)
InChIKeyBMAVECISNKNKQJ-UHFFFAOYSA-N
XLogP-0.11
TPSA119.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyanophenyl)sulfamic acid
CID 15847253
N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide
CID 138582531
2-[[2-[(4-cyanophenyl)methylsulfonylamino]acetyl]amino]acetic acid
CID 43387978
[4-(4-cyanophenyl)phenyl]sulfamic acid
CID 101234678
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
3-[2-(4-cyanophenyl)hydrazinyl]-3-oxopropanoic acid
CID 69448278
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
2-[(4-cyanoanilino)methyl]prop-2-enoic acid
CID 103235627
2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 39342828
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
CID 16784091

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfamoylamino]acetic acid?
The IUPAC name of 2-[(4-cyanophenyl)sulfamoylamino]acetic acid (CID 14363956) is 2-[(4-cyanophenyl)sulfamoylamino]acetic acid.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfamoylamino]acetic acid?
The canonical SMILES for 2-[(4-cyanophenyl)sulfamoylamino]acetic acid is N#Cc1ccc(NS(=O)(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfamoylamino]acetic acid?
The InChIKey is BMAVECISNKNKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c10-5-7-1-3-8(4-2-7)12-17(15,16)11-6-9(13)14/h1-4,11-12H,6H2,(H,13,14).
What are the key properties of 2-[(4-cyanophenyl)sulfamoylamino]acetic acid?
2-[(4-cyanophenyl)sulfamoylamino]acetic acid has a molecular weight of 255.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfamoylamino]acetic acid is sourced from PubChem (CID 14363956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).