2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid

C14H12Cl2N2O4S — CID 45412910

IUPAC2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C14H12Cl2N2O4S/c1-8(9-2-4-17-5-3-9)18-23(21,22)13-6-10(14(19)20)11(15)7-12(13)16/h2-8,18H,1H3,(H,19,20)
InChIKeyCQCAFIDIIQEROA-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.13
Rot. Bonds5

About 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid

2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid (PubChem CID 45412910) has the molecular formula C14H12Cl2N2O4S and a molecular weight of 375.23 g/mol. Its IUPAC name is 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
PubChem CID45412910
Molecular FormulaC14H12Cl2N2O4S
Molecular Weight375.23 g/mol
Exact Mass373.99
IUPAC Name2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C14H12Cl2N2O4S/c1-8(9-2-4-17-5-3-9)18-23(21,22)13-6-10(14(19)20)11(15)7-12(13)16/h2-8,18H,1H3,(H,19,20)
InChIKeyCQCAFIDIIQEROA-UHFFFAOYSA-N
XLogP3.13
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 29050395
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 43081929
3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51681297
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 2473332
3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 114378879
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523979
5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81404136

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid (CID 45412910) is 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid is CC(NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid?
The InChIKey is CQCAFIDIIQEROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4S/c1-8(9-2-4-17-5-3-9)18-23(21,22)13-6-10(14(19)20)11(15)7-12(13)16/h2-8,18H,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid?
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid has a molecular weight of 375.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 45412910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).