N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide

C15H23NO4S — CID 110626462

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C15H23NO4S/c1-20-14-6-4-5-13(11-14)7-10-21(18,19)16-12-15(17)8-2-3-9-15/h4-6,11,16-17H,2-3,7-10,12H2,1H3
InChIKeyHOKLBANWQXFAKY-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.46
Rot. Bonds7

About N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide

N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 110626462) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
PubChem CID110626462
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C15H23NO4S/c1-20-14-6-4-5-13(11-14)7-10-21(18,19)16-12-15(17)8-2-3-9-15/h4-6,11,16-17H,2-3,7-10,12H2,1H3
InChIKeyHOKLBANWQXFAKY-UHFFFAOYSA-N
XLogP1.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71803616
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110620333
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408195
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110606554

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide (CID 110626462) is N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide is COc1cccc(CCS(=O)(=O)NCC2(O)CCCC2)c1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is HOKLBANWQXFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-20-14-6-4-5-13(11-14)7-10-21(18,19)16-12-15(17)8-2-3-9-15/h4-6,11,16-17H,2-3,7-10,12H2,1H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110626462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).