1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide

C11H24ClNO3S — CID 63664125

IUPAC1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide
SMILESCCCCCCCN(CCCO)S(=O)(=O)CCl
InChIInChI=1S/C11H24ClNO3S/c1-2-3-4-5-6-8-13(9-7-10-14)17(15,16)11-12/h14H,2-11H2,1H3
InChIKeyWTKPMNJGIUXTBG-UHFFFAOYSA-N
MW285.84 g/mol
LogP2.17
Rot. Bonds11

About 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide

1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide (PubChem CID 63664125) has the molecular formula C11H24ClNO3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide
PubChem CID63664125
Molecular FormulaC11H24ClNO3S
Molecular Weight285.84 g/mol
Exact Mass285.12
IUPAC Name1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide
SMILESCCCCCCCN(CCCO)S(=O)(=O)CCl
InChIInChI=1S/C11H24ClNO3S/c1-2-3-4-5-6-8-13(9-7-10-14)17(15,16)11-12/h14H,2-11H2,1H3
InChIKeyWTKPMNJGIUXTBG-UHFFFAOYSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-heptyl-N-(3-hydroxypropyl)propane-1-sulfonamide
CID 54877191
1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide
CID 63664721
N-heptyl-N-(3-hydroxypropyl)propane-2-sulfonamide
CID 64585353
N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 64585354
N-heptyl-N-(3-hydroxypropyl)methanesulfonamide
CID 64585355
N-heptyl-N-(3-hydroxypropyl)propane-1-sulfonamide
CID 64585547
3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropane-1-sulfonamide
CID 79586279
1-bromo-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide
CID 83084877
2-chloro-N-heptyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 107651206
N-butyl-N-(3-hydroxypropyl)methanesulfonamide
CID 109968348
1-chloro-N-ethyl-N-(3-hydroxypropyl)methanesulfonamide
CID 116057141
4-chloro-N-heptyl-N-(3-hydroxypropyl)butane-1-sulfonamide
CID 116815451

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide (CID 63664125) is 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide is CCCCCCCN(CCCO)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide?
The InChIKey is WTKPMNJGIUXTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3S/c1-2-3-4-5-6-8-13(9-7-10-14)17(15,16)11-12/h14H,2-11H2,1H3.
What are the key properties of 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide?
1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide has a molecular weight of 285.84 g/mol, XLogP of 2.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-heptyl-N-(3-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 63664125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).