4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid

C19H15ClN2O4S — CID 66600938

IUPAC4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ncccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O4S/c20-17-7-4-12-21-18(17)22(13-14-5-2-1-3-6-14)27(25,26)16-10-8-15(9-11-16)19(23)24/h1-12H,13H2,(H,23,24)
InChIKeyIACXMQOTFFSZDU-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.83
Rot. Bonds6

About 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid

4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 66600938) has the molecular formula C19H15ClN2O4S and a molecular weight of 402.86 g/mol. Its IUPAC name is 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid
PubChem CID66600938
Molecular FormulaC19H15ClN2O4S
Molecular Weight402.86 g/mol
Exact Mass402.04
IUPAC Name4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ncccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O4S/c20-17-7-4-12-21-18(17)22(13-14-5-2-1-3-6-14)27(25,26)16-10-8-15(9-11-16)19(23)24/h1-12H,13H2,(H,23,24)
InChIKeyIACXMQOTFFSZDU-UHFFFAOYSA-N
XLogP3.83
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid (CID 66600938) is 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ncccc2Cl)cc1.
What is the InChIKey of 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is IACXMQOTFFSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4S/c20-17-7-4-12-21-18(17)22(13-14-5-2-1-3-6-14)27(25,26)16-10-8-15(9-11-16)19(23)24/h1-12H,13H2,(H,23,24).
What are the key properties of 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid?
4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 402.86 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-(3-chloro-2-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 66600938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).