N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide

C17H18F2N2O3S — CID 171389649

IUPACN-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cc2C)cn1
InChIInChI=1S/C17H18F2N2O3S/c1-11-7-14(25(22,23)21-13-8-17(18,19)9-13)4-5-15(11)12-3-6-16(24-2)20-10-12/h3-7,10,13,21H,8-9H2,1-2H3
InChIKeyJPCQPKHARYJDTN-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.14
Rot. Bonds5

About N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide

N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide (PubChem CID 171389649) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
PubChem CID171389649
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cc2C)cn1
InChIInChI=1S/C17H18F2N2O3S/c1-11-7-14(25(22,23)21-13-8-17(18,19)9-13)4-5-15(11)12-3-6-16(24-2)20-10-12/h3-7,10,13,21H,8-9H2,1-2H3
InChIKeyJPCQPKHARYJDTN-UHFFFAOYSA-N
XLogP3.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide (CID 171389649) is N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cc2C)cn1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide?
The InChIKey is JPCQPKHARYJDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-11-7-14(25(22,23)21-13-8-17(18,19)9-13)4-5-15(11)12-3-6-16(24-2)20-10-12/h3-7,10,13,21H,8-9H2,1-2H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide?
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide has a molecular weight of 368.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 171389649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).