1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide

C5H12ClNO4S — CID 63663913

IUPAC1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(CCl)N(CCO)CCO
InChIInChI=1S/C5H12ClNO4S/c6-5-12(10,11)7(1-3-8)2-4-9/h8-9H,1-5H2
InChIKeyDQWXLTHISBOHSN-UHFFFAOYSA-N
MW217.67 g/mol
LogP-1.20
Rot. Bonds6

About 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide

1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide (PubChem CID 63663913) has the molecular formula C5H12ClNO4S and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide
PubChem CID63663913
Molecular FormulaC5H12ClNO4S
Molecular Weight217.67 g/mol
Exact Mass217.02
IUPAC Name1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(CCl)N(CCO)CCO
InChIInChI=1S/C5H12ClNO4S/c6-5-12(10,11)7(1-3-8)2-4-9/h8-9H,1-5H2
InChIKeyDQWXLTHISBOHSN-UHFFFAOYSA-N
XLogP-1.20
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide (CID 63663913) is 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide is O=S(=O)(CCl)N(CCO)CCO.
What is the InChIKey of 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide?
The InChIKey is DQWXLTHISBOHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO4S/c6-5-12(10,11)7(1-3-8)2-4-9/h8-9H,1-5H2.
What are the key properties of 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide?
1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide has a molecular weight of 217.67 g/mol, XLogP of -1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-bis(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 63663913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).