N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

C21H16ClF3N4O3S — CID 118249144

IUPACN-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1ncc(-c2ccnc(NC(=O)C3CC3(F)F)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C21H16ClF3N4O3S/c1-11-17(29-33(31,32)18-3-2-14(22)8-16(18)23)6-13(10-27-11)12-4-5-26-19(7-12)28-20(30)15-9-21(15,24)25/h2-8,10,15,29H,9H2,1H3,(H,26,28,30)
InChIKeyMVCGUXLHWVIOAI-UHFFFAOYSA-N
MW496.90 g/mol
LogP4.64
Rot. Bonds6

About N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 118249144) has the molecular formula C21H16ClF3N4O3S and a molecular weight of 496.90 g/mol. Its IUPAC name is N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID118249144
Molecular FormulaC21H16ClF3N4O3S
Molecular Weight496.90 g/mol
Exact Mass496.06
IUPAC NameN-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCc1ncc(-c2ccnc(NC(=O)C3CC3(F)F)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C21H16ClF3N4O3S/c1-11-17(29-33(31,32)18-3-2-14(22)8-16(18)23)6-13(10-27-11)12-4-5-26-19(7-12)28-20(30)15-9-21(15,24)25/h2-8,10,15,29H,9H2,1H3,(H,26,28,30)
InChIKeyMVCGUXLHWVIOAI-UHFFFAOYSA-N
XLogP4.64
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.90
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (CID 118249144) is N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is Cc1ncc(-c2ccnc(NC(=O)C3CC3(F)F)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is MVCGUXLHWVIOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O3S/c1-11-17(29-33(31,32)18-3-2-14(22)8-16(18)23)6-13(10-27-11)12-4-5-26-19(7-12)28-20(30)15-9-21(15,24)25/h2-8,10,15,29H,9H2,1H3,(H,26,28,30).
What are the key properties of N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 496.90 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 118249144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).