4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid

C14H14ClN3O4S — CID 45335334

IUPAC4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)NCCNc2ccccn2)c1
InChIInChI=1S/C14H14ClN3O4S/c15-11-5-4-10(14(19)20)9-12(11)23(21,22)18-8-7-17-13-3-1-2-6-16-13/h1-6,9,18H,7-8H2,(H,16,17)(H,19,20)
InChIKeyIRRYGBVQLVYFBY-UHFFFAOYSA-N
MW355.80 g/mol
LogP1.82
Rot. Bonds7

About 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid

4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid (PubChem CID 45335334) has the molecular formula C14H14ClN3O4S and a molecular weight of 355.80 g/mol. Its IUPAC name is 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid
PubChem CID45335334
Molecular FormulaC14H14ClN3O4S
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC Name4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)NCCNc2ccccn2)c1
InChIInChI=1S/C14H14ClN3O4S/c15-11-5-4-10(14(19)20)9-12(11)23(21,22)18-8-7-17-13-3-1-2-6-16-13/h1-6,9,18H,7-8H2,(H,16,17)(H,19,20)
InChIKeyIRRYGBVQLVYFBY-UHFFFAOYSA-N
XLogP1.82
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
CID 60589876
3-(2-carboxyethylsulfamoyl)-4-chlorobenzoic acid
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4-chloro-3-(hex-5-ynylsulfamoyl)benzoic acid
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4-methyl-3-[2-(pyrazin-2-ylamino)ethylsulfamoyl]benzoic acid
CID 138997308
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CID 19096061
4-chloro-3-(3-cyanopropylsulfamoyl)benzoic acid
CID 62665661
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
CID 82513444
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61282376
4-chloro-3-[2-(1,3-thiazol-5-yl)ethylsulfamoyl]benzoic acid
CID 110717619
4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid (CID 45335334) is 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)NCCNc2ccccn2)c1.
What is the InChIKey of 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid?
The InChIKey is IRRYGBVQLVYFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S/c15-11-5-4-10(14(19)20)9-12(11)23(21,22)18-8-7-17-13-3-1-2-6-16-13/h1-6,9,18H,7-8H2,(H,16,17)(H,19,20).
What are the key properties of 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid?
4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid has a molecular weight of 355.80 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 45335334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).