N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

C22H22FN3O4S — CID 95088443

IUPACN-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O4S/c1-3-15(2)25-21(27)20-8-5-13-24-22(20)30-18-7-4-6-17(14-18)26-31(28,29)19-11-9-16(23)10-12-19/h4-15,26H,3H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyDDDJWUCVAGGFAN-HNNXBMFYSA-N
MW443.50 g/mol
LogP4.34
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (PubChem CID 95088443) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
PubChem CID95088443
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC NameN-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O4S/c1-3-15(2)25-21(27)20-8-5-13-24-22(20)30-18-7-4-6-17(14-18)26-31(28,29)19-11-9-16(23)10-12-19/h4-15,26H,3H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyDDDJWUCVAGGFAN-HNNXBMFYSA-N
XLogP4.34
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117640
N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120239
N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117722
N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089271
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088432
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088433
2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53117628
2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53117717
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (CID 95088443) is N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is CC[C@H](C)NC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The InChIKey is DDDJWUCVAGGFAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-3-15(2)25-21(27)20-8-5-13-24-22(20)30-18-7-4-6-17(14-18)26-31(28,29)19-11-9-16(23)10-12-19/h4-15,26H,3H2,1-2H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 95088443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).