1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide

C8H18ClNO3S — CID 106115960

IUPAC1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-2-3-8(4-5-11)6-10-14(12,13)7-9/h8,10-11H,2-7H2,1H3
InChIKeyUHBHCDDPPLNWTG-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.90
Rot. Bonds8

About 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide

1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide (PubChem CID 106115960) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
PubChem CID106115960
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-2-3-8(4-5-11)6-10-14(12,13)7-9/h8,10-11H,2-7H2,1H3
InChIKeyUHBHCDDPPLNWTG-UHFFFAOYSA-N
XLogP0.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.90
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

3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane
CID 103836357
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
5-chloro-N-[2-(2-hydroxyethyl)pentyl]thiophene-2-sulfonamide
CID 103836355
N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide
CID 106118276
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113489
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide (CID 106115960) is 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide is CCCC(CCO)CNS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide?
The InChIKey is UHBHCDDPPLNWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-2-3-8(4-5-11)6-10-14(12,13)7-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide?
1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide has a molecular weight of 243.76 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide is sourced from PubChem (CID 106115960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).