2-(3-chloro-N-propylsulfonylanilino)acetic acid

C11H14ClNO4S — CID 28765738

IUPAC2-(3-chloro-N-propylsulfonylanilino)acetic acid
SMILESCCCS(=O)(=O)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-2-6-18(16,17)13(8-11(14)15)10-5-3-4-9(12)7-10/h3-5,7H,2,6,8H2,1H3,(H,14,15)
InChIKeyZFCORVUJJRZKNG-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.97
Rot. Bonds6

About 2-(3-chloro-N-propylsulfonylanilino)acetic acid

2-(3-chloro-N-propylsulfonylanilino)acetic acid (PubChem CID 28765738) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-(3-chloro-N-propylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-propylsulfonylanilino)acetic acid
PubChem CID28765738
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-(3-chloro-N-propylsulfonylanilino)acetic acid
SMILESCCCS(=O)(=O)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-2-6-18(16,17)13(8-11(14)15)10-5-3-4-9(12)7-10/h3-5,7H,2,6,8H2,1H3,(H,14,15)
InChIKeyZFCORVUJJRZKNG-UHFFFAOYSA-N
XLogP1.97
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-N-(2-ethoxyethylsulfonyl)anilino]acetic acid
CID 63246191
2-(4-chloro-N-propylsulfonylanilino)acetic acid
CID 28765789
2-(3-chloro-N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
CID 61456711
2-[3-chloro-N-(cyclopropylmethylsulfonyl)anilino]acetic acid
CID 64988017
2-(3-chloro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetic acid
CID 100515862
5-[carboxymethyl(ethylsulfonyl)amino]-2-chlorobenzoic acid
CID 50894486
N-(3-chlorophenyl)-N-methylethanesulfonamide
CID 118612457
2-(3-chloro-N-ethylsulfonylanilino)propanoic acid
CID 50890299
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
2-[4-chloro-N-(2-methylsulfonylethylsulfonyl)anilino]acetic acid
CID 63245476
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 3139153

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-propylsulfonylanilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-propylsulfonylanilino)acetic acid (CID 28765738) is 2-(3-chloro-N-propylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-propylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-propylsulfonylanilino)acetic acid is CCCS(=O)(=O)N(CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-propylsulfonylanilino)acetic acid?
The InChIKey is ZFCORVUJJRZKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-2-6-18(16,17)13(8-11(14)15)10-5-3-4-9(12)7-10/h3-5,7H,2,6,8H2,1H3,(H,14,15).
What are the key properties of 2-(3-chloro-N-propylsulfonylanilino)acetic acid?
2-(3-chloro-N-propylsulfonylanilino)acetic acid has a molecular weight of 291.76 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-propylsulfonylanilino)acetic acid is sourced from PubChem (CID 28765738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).