5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide

C14H19ClN2O5S — CID 167963019

IUPAC5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide
SMILESCOc1c(NS(=O)(=O)CC2(OC)CCC2)cc(Cl)cc1C(N)=O
InChIInChI=1S/C14H19ClN2O5S/c1-21-12-10(13(16)18)6-9(15)7-11(12)17-23(19,20)8-14(22-2)4-3-5-14/h6-7,17H,3-5,8H2,1-2H3,(H2,16,18)
InChIKeyVAFRZKBDJMNTAK-UHFFFAOYSA-N
MW362.84 g/mol
LogP1.76
Rot. Bonds7

About 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide

5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide (PubChem CID 167963019) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide
PubChem CID167963019
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC Name5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide
SMILESCOc1c(NS(=O)(=O)CC2(OC)CCC2)cc(Cl)cc1C(N)=O
InChIInChI=1S/C14H19ClN2O5S/c1-21-12-10(13(16)18)6-9(15)7-11(12)17-23(19,20)8-14(22-2)4-3-5-14/h6-7,17H,3-5,8H2,1-2H3,(H2,16,18)
InChIKeyVAFRZKBDJMNTAK-UHFFFAOYSA-N
XLogP1.76
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide?
The IUPAC name of 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide (CID 167963019) is 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide is COc1c(NS(=O)(=O)CC2(OC)CCC2)cc(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide?
The InChIKey is VAFRZKBDJMNTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c1-21-12-10(13(16)18)6-9(15)7-11(12)17-23(19,20)8-14(22-2)4-3-5-14/h6-7,17H,3-5,8H2,1-2H3,(H2,16,18).
What are the key properties of 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide?
5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide has a molecular weight of 362.84 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide is sourced from PubChem (CID 167963019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).