N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide

C16H25NO3S — CID 65112746

IUPACN-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C16H25NO3S/c1-13(2)11-14-5-7-15(8-6-14)21(19,20)17-12-16(18)9-3-4-10-16/h5-8,13,17-18H,3-4,9-12H2,1-2H3
InChIKeyWHFARXVHIGYLDB-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.47
Rot. Bonds6

About N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide

N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 65112746) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID65112746
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C16H25NO3S/c1-13(2)11-14-5-7-15(8-6-14)21(19,20)17-12-16(18)9-3-4-10-16/h5-8,13,17-18H,3-4,9-12H2,1-2H3
InChIKeyWHFARXVHIGYLDB-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65481634
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107
methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
CID 65112879
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide
CID 115638682
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 119965037

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide (CID 65112746) is N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is WHFARXVHIGYLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13(2)11-14-5-7-15(8-6-14)21(19,20)17-12-16(18)9-3-4-10-16/h5-8,13,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65112746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).