2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide

C6H14ClNO4S — CID 107651201

IUPAC2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)N(CCO)CCO
InChIInChI=1S/C6H14ClNO4S/c7-1-6-13(11,12)8(2-4-9)3-5-10/h9-10H,1-6H2
InChIKeySFYXFDOHVIQHNO-UHFFFAOYSA-N
MW231.70 g/mol
LogP-1.16
Rot. Bonds7

About 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide

2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide (PubChem CID 107651201) has the molecular formula C6H14ClNO4S and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide
PubChem CID107651201
Molecular FormulaC6H14ClNO4S
Molecular Weight231.70 g/mol
Exact Mass231.03
IUPAC Name2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)N(CCO)CCO
InChIInChI=1S/C6H14ClNO4S/c7-1-6-13(11,12)8(2-4-9)3-5-10/h9-10H,1-6H2
InChIKeySFYXFDOHVIQHNO-UHFFFAOYSA-N
XLogP-1.16
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
CID 59747346
2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide
CID 87784993
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 54951714
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide
CID 60958598
N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide
CID 82842151
3-hydroxy-N,N-bis(3-methylbutyl)propane-1-sulfonamide
CID 107871668
4-(2-chloroethyl)-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 54877176
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140
methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide (CID 107651201) is 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide is O=S(=O)(CCCl)N(CCO)CCO.
What is the InChIKey of 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is SFYXFDOHVIQHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO4S/c7-1-6-13(11,12)8(2-4-9)3-5-10/h9-10H,1-6H2.
What are the key properties of 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide?
2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 231.70 g/mol, XLogP of -1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 107651201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).