3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide

C10H22ClNO3S — CID 106115961

IUPAC3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO3S/c1-2-4-10(5-7-13)9-12-16(14,15)8-3-6-11/h10,12-13H,2-9H2,1H3
InChIKeyKNQVLGACQXTVJA-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.33
Rot. Bonds10

About 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide

3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide (PubChem CID 106115961) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
PubChem CID106115961
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC Name3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO3S/c1-2-4-10(5-7-13)9-12-16(14,15)8-3-6-11/h10,12-13H,2-9H2,1H3
InChIKeyKNQVLGACQXTVJA-UHFFFAOYSA-N
XLogP1.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
CID 106115960
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide
CID 106118276
4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide
CID 116816566
3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane
CID 103836357
N-(2-ethylhexyl)dodecane-1-sulfonamide
CID 20789895
N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide
CID 106118299
3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol
CID 106115414
3-chloro-N-hexan-3-ylpropane-1-sulfonamide
CID 62093105
N-[2-(2-hydroxyethyl)pentyl]cyclopentanesulfonamide
CID 113318737
2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836427
N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide
CID 103836404

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide (CID 106115961) is 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide is CCCC(CCO)CNS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide?
The InChIKey is KNQVLGACQXTVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-2-4-10(5-7-13)9-12-16(14,15)8-3-6-11/h10,12-13H,2-9H2,1H3.
What are the key properties of 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide?
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide is sourced from PubChem (CID 106115961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).