1-chloro-N-(4-hydroxybutyl)methanesulfonamide

C5H12ClNO3S — CID 106844119

IUPAC1-chloro-N-(4-hydroxybutyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCCCCO
InChIInChI=1S/C5H12ClNO3S/c6-5-11(9,10)7-3-1-2-4-8/h7-8H,1-5H2
InChIKeyQUKBJQKQEBDPKU-UHFFFAOYSA-N
MW201.67 g/mol
LogP-0.13
Rot. Bonds6

About 1-chloro-N-(4-hydroxybutyl)methanesulfonamide

1-chloro-N-(4-hydroxybutyl)methanesulfonamide (PubChem CID 106844119) has the molecular formula C5H12ClNO3S and a molecular weight of 201.67 g/mol. Its IUPAC name is 1-chloro-N-(4-hydroxybutyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(4-hydroxybutyl)methanesulfonamide
PubChem CID106844119
Molecular FormulaC5H12ClNO3S
Molecular Weight201.67 g/mol
Exact Mass201.02
IUPAC Name1-chloro-N-(4-hydroxybutyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCCCCO
InChIInChI=1S/C5H12ClNO3S/c6-5-11(9,10)7-3-1-2-4-8/h7-8H,1-5H2
InChIKeyQUKBJQKQEBDPKU-UHFFFAOYSA-N
XLogP-0.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
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

4-(chloromethylsulfonylamino)butanoic acid
CID 63664973
10-hydroxydecylsulfamic acid
CID 151793979
3-(chloromethylsulfonylamino)propanoic acid
CID 63664761
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
methyl 4-(chloromethylsulfonylamino)butanoate
CID 63664972
1-chloro-N-pent-4-ynylmethanesulfonamide
CID 106223218
1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 63664575
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
1-(diethylsulfamoylamino)-5-hydroxypentane
CID 107319491
4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053
6-chlorohexylsulfamic acid
CID 139889503

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(4-hydroxybutyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(4-hydroxybutyl)methanesulfonamide (CID 106844119) is 1-chloro-N-(4-hydroxybutyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(4-hydroxybutyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(4-hydroxybutyl)methanesulfonamide is O=S(=O)(CCl)NCCCCO.
What is the InChIKey of 1-chloro-N-(4-hydroxybutyl)methanesulfonamide?
The InChIKey is QUKBJQKQEBDPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO3S/c6-5-11(9,10)7-3-1-2-4-8/h7-8H,1-5H2.
What are the key properties of 1-chloro-N-(4-hydroxybutyl)methanesulfonamide?
1-chloro-N-(4-hydroxybutyl)methanesulfonamide has a molecular weight of 201.67 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(4-hydroxybutyl)methanesulfonamide is sourced from PubChem (CID 106844119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).