1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide

C6H12ClNO3S — CID 63665339

IUPAC1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCC1CCCO1
InChIInChI=1S/C6H12ClNO3S/c7-5-12(9,10)8-4-6-2-1-3-11-6/h6,8H,1-5H2
InChIKeyHQKCQTMQRUJEBP-UHFFFAOYSA-N
MW213.69 g/mol
LogP0.28
Rot. Bonds4

About 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide

1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide (PubChem CID 63665339) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide
PubChem CID63665339
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCC1CCCO1
InChIInChI=1S/C6H12ClNO3S/c7-5-12(9,10)8-4-6-2-1-3-11-6/h6,8H,1-5H2
InChIKeyHQKCQTMQRUJEBP-UHFFFAOYSA-N
XLogP0.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-ylmethylsulfamoyl)acetic acid
CID 43209527
2-[(sulfamoylamino)methyl]oxolane
CID 68548773
1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27245579
1-(4-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27210861
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682485
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide (CID 63665339) is 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide is O=S(=O)(CCl)NCC1CCCO1.
What is the InChIKey of 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide?
The InChIKey is HQKCQTMQRUJEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c7-5-12(9,10)8-4-6-2-1-3-11-6/h6,8H,1-5H2.
What are the key properties of 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide?
1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide has a molecular weight of 213.69 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63665339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).