N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide

C20H20F3N3O4S — CID 156781930

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@H]2C(F)(F)F)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CC2)c1
InChIInChI=1S/C20H20F3N3O4S/c1-11-5-6-12(13-10-14(13)20(21,22)23)15(9-11)30-19(7-8-19)18(27)26-31(28,29)17-4-2-3-16(24)25-17/h2-6,9,13-14H,7-8,10H2,1H3,(H2,24,25)(H,26,27)/t13-,14+/m0/s1
InChIKeyJRMNFBDBMPTZNS-UONOGXRCSA-N
MW455.46 g/mol
LogP3.05
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide (PubChem CID 156781930) has the molecular formula C20H20F3N3O4S and a molecular weight of 455.46 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide
PubChem CID156781930
Molecular FormulaC20H20F3N3O4S
Molecular Weight455.46 g/mol
Exact Mass455.11
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@H]2C(F)(F)F)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CC2)c1
InChIInChI=1S/C20H20F3N3O4S/c1-11-5-6-12(13-10-14(13)20(21,22)23)15(9-11)30-19(7-8-19)18(27)26-31(28,29)17-4-2-3-16(24)25-17/h2-6,9,13-14H,7-8,10H2,1H3,(H2,24,25)(H,26,27)/t13-,14+/m0/s1
InChIKeyJRMNFBDBMPTZNS-UONOGXRCSA-N
XLogP3.05
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide (CID 156781930) is N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide is Cc1ccc([C@@H]2C[C@H]2C(F)(F)F)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CC2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide?
The InChIKey is JRMNFBDBMPTZNS-UONOGXRCSA-N. The full InChI is InChI=1S/C20H20F3N3O4S/c1-11-5-6-12(13-10-14(13)20(21,22)23)15(9-11)30-19(7-8-19)18(27)26-31(28,29)17-4-2-3-16(24)25-17/h2-6,9,13-14H,7-8,10H2,1H3,(H2,24,25)(H,26,27)/t13-,14+/m0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide has a molecular weight of 455.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide is sourced from PubChem (CID 156781930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).