3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide

C9H18ClNO3S — CID 65110326

IUPAC3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCC1(O)CCCC1
InChIInChI=1S/C9H18ClNO3S/c10-6-3-7-15(13,14)11-8-9(12)4-1-2-5-9/h11-12H,1-8H2
InChIKeyUWWXPIVCZKVMKC-UHFFFAOYSA-N
MW255.77 g/mol
LogP0.84
Rot. Bonds6

About 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide

3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide (PubChem CID 65110326) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide
PubChem CID65110326
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCC1(O)CCCC1
InChIInChI=1S/C9H18ClNO3S/c10-6-3-7-15(13,14)11-8-9(12)4-1-2-5-9/h11-12H,1-8H2
InChIKeyUWWXPIVCZKVMKC-UHFFFAOYSA-N
XLogP0.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide (CID 65110326) is 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NCC1(O)CCCC1.
What is the InChIKey of 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide?
The InChIKey is UWWXPIVCZKVMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c10-6-3-7-15(13,14)11-8-9(12)4-1-2-5-9/h11-12H,1-8H2.
What are the key properties of 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide?
3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide has a molecular weight of 255.77 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 65110326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).