(3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

C20H22FN3O4S — CID 9166013

IUPAC(3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1
InChIInChI=1S/C20H22FN3O4S/c1-13-7-8-16(21)11-18(13)29(27,28)23-17-6-2-4-14(10-17)20(26)24-9-3-5-15(12-24)19(22)25/h2,4,6-8,10-11,15,23H,3,5,9,12H2,1H3,(H2,22,25)/t15-/m0/s1
InChIKeyKXKWYAVVMAGOQC-HNNXBMFYSA-N
MW419.48 g/mol
LogP2.27
Rot. Bonds5

About (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

(3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (PubChem CID 9166013) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
PubChem CID9166013
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name(3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1
InChIInChI=1S/C20H22FN3O4S/c1-13-7-8-16(21)11-18(13)29(27,28)23-17-6-2-4-14(10-17)20(26)24-9-3-5-15(12-24)19(22)25/h2,4,6-8,10-11,15,23H,3,5,9,12H2,1H3,(H2,22,25)/t15-/m0/s1
InChIKeyKXKWYAVVMAGOQC-HNNXBMFYSA-N
XLogP2.27
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729549
(3R)-N-(2-methoxyethyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729638
ethyl (3S)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 31469286
N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830202
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 46387326
(3R)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92729572
(3S)-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729647
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (CID 9166013) is (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1.
What is the InChIKey of (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The InChIKey is KXKWYAVVMAGOQC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-13-7-8-16(21)11-18(13)29(27,28)23-17-6-2-4-14(10-17)20(26)24-9-3-5-15(12-24)19(22)25/h2,4,6-8,10-11,15,23H,3,5,9,12H2,1H3,(H2,22,25)/t15-/m0/s1.
What are the key properties of (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
(3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 9166013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).