N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide

C18H22ClN3O4S — CID 86709057

IUPACN-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCOCC1COc1ccc(-n2cc(Cl)cn2)cc1)C1CC1
InChIInChI=1S/C18H22ClN3O4S/c19-14-9-20-22(10-14)15-1-3-16(4-2-15)26-12-13-11-25-8-7-18(13)21-27(23,24)17-5-6-17/h1-4,9-10,13,17-18,21H,5-8,11-12H2
InChIKeyCSLFWNVABUDWLH-UHFFFAOYSA-N
MW411.91 g/mol
LogP2.39
Rot. Bonds7

About N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide

N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide (PubChem CID 86709057) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
PubChem CID86709057
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCOCC1COc1ccc(-n2cc(Cl)cn2)cc1)C1CC1
InChIInChI=1S/C18H22ClN3O4S/c19-14-9-20-22(10-14)15-1-3-16(4-2-15)26-12-13-11-25-8-7-18(13)21-27(23,24)17-5-6-17/h1-4,9-10,13,17-18,21H,5-8,11-12H2
InChIKeyCSLFWNVABUDWLH-UHFFFAOYSA-N
XLogP2.39
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide (CID 86709057) is N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCOCC1COc1ccc(-n2cc(Cl)cn2)cc1)C1CC1.
What is the InChIKey of N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
The InChIKey is CSLFWNVABUDWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c19-14-9-20-22(10-14)15-1-3-16(4-2-15)26-12-13-11-25-8-7-18(13)21-27(23,24)17-5-6-17/h1-4,9-10,13,17-18,21H,5-8,11-12H2.
What are the key properties of N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide?
N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide has a molecular weight of 411.91 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-chloropyrazol-1-yl)phenoxy]methyl]oxan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 86709057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).