2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide

C7H14ClNO3S — CID 107651943

IUPAC2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCC(O)C1CC1
InChIInChI=1S/C7H14ClNO3S/c8-3-4-13(11,12)9-5-7(10)6-1-2-6/h6-7,9-10H,1-5H2
InChIKeyUAZOQWGGTNDKNB-UHFFFAOYSA-N
MW227.71 g/mol
LogP-0.08
Rot. Bonds6

About 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide

2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide (PubChem CID 107651943) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide
PubChem CID107651943
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCC(O)C1CC1
InChIInChI=1S/C7H14ClNO3S/c8-3-4-13(11,12)9-5-7(10)6-1-2-6/h6-7,9-10H,1-5H2
InChIKeyUAZOQWGGTNDKNB-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 5-0.08
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

N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide
CID 63298386
1-cyclopropyl-2-(cyclopropylsulfamoylamino)ethanol
CID 114383309
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968
2-chloro-N-(2-methylbutyl)ethanesulfonamide
CID 107651892
N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide
CID 63297119
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574
1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
CID 55171408
N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]-3-chloropropane-1-sulfonamide
CID 173480129
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63296375
5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
CID 80577895
N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide
CID 84589990
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
CID 114150458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide (CID 107651943) is 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide is O=S(=O)(CCCl)NCC(O)C1CC1.
What is the InChIKey of 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide?
The InChIKey is UAZOQWGGTNDKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c8-3-4-13(11,12)9-5-7(10)6-1-2-6/h6-7,9-10H,1-5H2.
What are the key properties of 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide?
2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide has a molecular weight of 227.71 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 107651943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).