(1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C19H19FN2O3S — CID 124808065

IUPAC(1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O3S/c1-12-2-8-16(9-3-12)26(24,25)22-11-13-10-17(13)18(22)19(23)21-15-6-4-14(20)5-7-15/h2-9,13,17-18H,10-11H2,1H3,(H,21,23)/t13-,17-,18-/m0/s1
InChIKeyKYNBIPGSWHHCJK-KKXDTOCCSA-N
MW374.44 g/mol
LogP2.78
Rot. Bonds4

About (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 124808065) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID124808065
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name(1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O3S/c1-12-2-8-16(9-3-12)26(24,25)22-11-13-10-17(13)18(22)19(23)21-15-6-4-14(20)5-7-15/h2-9,13,17-18H,10-11H2,1H3,(H,21,23)/t13-,17-,18-/m0/s1
InChIKeyKYNBIPGSWHHCJK-KKXDTOCCSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
4-(4-fluorophenyl)sulfonyl-3-N-methyl-1-N-(4-methylphenyl)piperazine-1,3-dicarboxamide
CID 134084972
(2R)-N-(4-fluorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 92508644
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
4-(4-fluorophenyl)sulfonyl-3-N-(2-methoxyethyl)-1-N-(4-methylphenyl)piperazine-1,3-dicarboxamide
CID 134084984
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide
CID 134209959
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 124808065) is (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is KYNBIPGSWHHCJK-KKXDTOCCSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-12-2-8-16(9-3-12)26(24,25)22-11-13-10-17(13)18(22)19(23)21-15-6-4-14(20)5-7-15/h2-9,13,17-18H,10-11H2,1H3,(H,21,23)/t13-,17-,18-/m0/s1.
What are the key properties of (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
(1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 124808065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).