6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid

C16H17N3O4S — CID 122057494

IUPAC6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C16H17N3O4S/c20-16(21)14-7-4-8-15(18-14)17-12-9-10-19(11-12)24(22,23)13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,17,18)(H,20,21)/t12-/m0/s1
InChIKeyZOPKTLMUHLHWBV-LBPRGKRZSA-N
MW347.40 g/mol
LogP1.65
Rot. Bonds5

About 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid

6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122057494) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID122057494
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C16H17N3O4S/c20-16(21)14-7-4-8-15(18-14)17-12-9-10-19(11-12)24(22,23)13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,17,18)(H,20,21)/t12-/m0/s1
InChIKeyZOPKTLMUHLHWBV-LBPRGKRZSA-N
XLogP1.65
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-Fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263737
6-[(4-Fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid
CID 5263744
6-[Ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263796
6-[(2-Fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63641693
6-[(2,5-Difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63642054
6-[(3,5-Difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63642230
6-[(2,6-Difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643095
6-[(3-Fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643269
6-[(2,4-Difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643432
6-[(3,4-Difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643608
6-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122047573
6-[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122047606

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid (CID 122057494) is 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1.
What is the InChIKey of 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is ZOPKTLMUHLHWBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-16(21)14-7-4-8-15(18-14)17-12-9-10-19(11-12)24(22,23)13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,17,18)(H,20,21)/t12-/m0/s1.
What are the key properties of 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid?
6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).