N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide

C20H22FNO4S — CID 159659770

IUPACN-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)CC3CCC(O)C3)c2)ccc1F
InChIInChI=1S/C20H22FNO4S/c1-13-9-16(6-8-19(13)21)22-20(24)15-3-2-4-18(11-15)27(25,26)12-14-5-7-17(23)10-14/h2-4,6,8-9,11,14,17,23H,5,7,10,12H2,1H3,(H,22,24)
InChIKeyMSQMAXVDCSPSAQ-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.32
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide

N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide (PubChem CID 159659770) has the molecular formula C20H22FNO4S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide
PubChem CID159659770
Molecular FormulaC20H22FNO4S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)CC3CCC(O)C3)c2)ccc1F
InChIInChI=1S/C20H22FNO4S/c1-13-9-16(6-8-19(13)21)22-20(24)15-3-2-4-18(11-15)27(25,26)12-14-5-7-17(23)10-14/h2-4,6,8-9,11,14,17,23H,5,7,10,12H2,1H3,(H,22,24)
InChIKeyMSQMAXVDCSPSAQ-UHFFFAOYSA-N
XLogP3.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide (CID 159659770) is N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)CC3CCC(O)C3)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide?
The InChIKey is MSQMAXVDCSPSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4S/c1-13-9-16(6-8-19(13)21)22-20(24)15-3-2-4-18(11-15)27(25,26)12-14-5-7-17(23)10-14/h2-4,6,8-9,11,14,17,23H,5,7,10,12H2,1H3,(H,22,24).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide?
N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide has a molecular weight of 391.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide is sourced from PubChem (CID 159659770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).