2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid

C9H7ClN2O4S — CID 112685913

IUPAC2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C9H7ClN2O4S/c10-8-3-7(2-1-6(8)4-11)17(15,16)12-5-9(13)14/h1-3,12H,5H2,(H,13,14)
InChIKeyBGGUCWBMRXJFGT-UHFFFAOYSA-N
MW274.69 g/mol
LogP0.57
Rot. Bonds4

About 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid

2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid (PubChem CID 112685913) has the molecular formula C9H7ClN2O4S and a molecular weight of 274.69 g/mol. Its IUPAC name is 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
PubChem CID112685913
Molecular FormulaC9H7ClN2O4S
Molecular Weight274.69 g/mol
Exact Mass273.98
IUPAC Name2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C9H7ClN2O4S/c10-8-3-7(2-1-6(8)4-11)17(15,16)12-5-9(13)14/h1-3,12H,5H2,(H,13,14)
InChIKeyBGGUCWBMRXJFGT-UHFFFAOYSA-N
XLogP0.57
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
CID 112691993
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
3-chloro-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 112703641
3-chloro-4-cyano-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834864
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 75431033
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902881
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid (CID 112685913) is 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid is N#Cc1ccc(S(=O)(=O)NCC(=O)O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid?
The InChIKey is BGGUCWBMRXJFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O4S/c10-8-3-7(2-1-6(8)4-11)17(15,16)12-5-9(13)14/h1-3,12H,5H2,(H,13,14).
What are the key properties of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid?
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid has a molecular weight of 274.69 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 112685913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).