4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid

C14H14N2O5S — CID 154746143

IUPAC4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid
SMILESCOc1cncc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H14N2O5S/c1-16(11-5-3-10(4-6-11)14(17)18)22(19,20)13-7-12(21-2)8-15-9-13/h3-9H,1-2H3,(H,17,18)
InChIKeyHVZNPEQUOBXPBV-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.61
Rot. Bonds5

About 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid

4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid (PubChem CID 154746143) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid.

Molecular Properties

Compound Name4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid
PubChem CID154746143
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid
SMILESCOc1cncc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H14N2O5S/c1-16(11-5-3-10(4-6-11)14(17)18)22(19,20)13-7-12(21-2)8-15-9-13/h3-9H,1-2H3,(H,17,18)
InChIKeyHVZNPEQUOBXPBV-UHFFFAOYSA-N
XLogP1.61
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-methyl-N-(3-methylphenyl)pyridine-3-sulfonamide
CID 154833326
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
5-amino-N-methyl-N-phenylpyridine-3-sulfonamide
CID 82222998
2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
CID 146131927
N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280023
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
CID 1242126
2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 167949172
4-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid
CID 100552827
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid?
The IUPAC name of 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid (CID 154746143) is 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid.
What is the SMILES notation for 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid?
The canonical SMILES for 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid is COc1cncc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid?
The InChIKey is HVZNPEQUOBXPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-16(11-5-3-10(4-6-11)14(17)18)22(19,20)13-7-12(21-2)8-15-9-13/h3-9H,1-2H3,(H,17,18).
What are the key properties of 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid?
4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid has a molecular weight of 322.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid is sourced from PubChem (CID 154746143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).