5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

C17H18ClF2N5O4S — CID 146525704

IUPAC5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(N2CCO[C@H](C(F)F)C2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C17H18ClF2N5O4S/c1-9-12(18)7-11(16(23-9)25-4-5-29-13(8-25)15(19)20)17(26)24-10-2-3-22-14(6-10)30(21,27)28/h2-3,6-7,13,15H,4-5,8H2,1H3,(H2,21,27,28)(H,22,24,26)/t13-/m0/s1
InChIKeySBYFRLGBFOIKCP-ZDUSSCGKSA-N
MW461.88 g/mol
LogP1.81
Rot. Bonds5

About 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525704) has the molecular formula C17H18ClF2N5O4S and a molecular weight of 461.88 g/mol. Its IUPAC name is 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525704
Molecular FormulaC17H18ClF2N5O4S
Molecular Weight461.88 g/mol
Exact Mass461.07
IUPAC Name5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(N2CCO[C@H](C(F)F)C2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C17H18ClF2N5O4S/c1-9-12(18)7-11(16(23-9)25-4-5-29-13(8-25)15(19)20)17(26)24-10-2-3-22-14(6-10)30(21,27)28/h2-3,6-7,13,15H,4-5,8H2,1H3,(H2,21,27,28)(H,22,24,26)/t13-/m0/s1
InChIKeySBYFRLGBFOIKCP-ZDUSSCGKSA-N
XLogP1.81
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.88
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525704) is 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is Cc1nc(N2CCO[C@H](C(F)F)C2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1Cl.
What is the InChIKey of 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is SBYFRLGBFOIKCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClF2N5O4S/c1-9-12(18)7-11(16(23-9)25-4-5-29-13(8-25)15(19)20)17(26)24-10-2-3-22-14(6-10)30(21,27)28/h2-3,6-7,13,15H,4-5,8H2,1H3,(H2,21,27,28)(H,22,24,26)/t13-/m0/s1.
What are the key properties of 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 461.88 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2S)-2-(difluoromethyl)morpholin-4-yl]-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).