N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C16H25NO3S — CID 103270305

IUPACN-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC2CCC(O)C2)c1C
InChIInChI=1S/C16H25NO3S/c1-10-7-11(2)13(4)16(12(10)3)21(19,20)17-9-14-5-6-15(18)8-14/h7,14-15,17-18H,5-6,8-9H2,1-4H3
InChIKeyURGSHSPJMSMBJI-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.36
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 103270305) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID103270305
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC2CCC(O)C2)c1C
InChIInChI=1S/C16H25NO3S/c1-10-7-11(2)13(4)16(12(10)3)21(19,20)17-9-14-5-6-15(18)8-14/h7,14-15,17-18H,5-6,8-9H2,1-4H3
InChIKeyURGSHSPJMSMBJI-UHFFFAOYSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411106
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95144968
2-amino-4,6-dibromo-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119165
4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106120479
N-[(3-hydroxycyclopentyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 103270306
2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide
CID 52858023
2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270335
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
CID 106119187
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 103270305) is N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC2CCC(O)C2)c1C.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is URGSHSPJMSMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-10-7-11(2)13(4)16(12(10)3)21(19,20)17-9-14-5-6-15(18)8-14/h7,14-15,17-18H,5-6,8-9H2,1-4H3.
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 103270305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).