2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide

C12H15ClF3NO4S — CID 86989290

IUPAC2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H15ClF3NO4S/c1-20-6-7-21-5-4-17-22(18,19)11-8-9(12(14,15)16)2-3-10(11)13/h2-3,8,17H,4-7H2,1H3
InChIKeyFCJVVCSWEHFNKH-UHFFFAOYSA-N
MW361.77 g/mol
LogP2.30
Rot. Bonds8

About 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 86989290) has the molecular formula C12H15ClF3NO4S and a molecular weight of 361.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID86989290
Molecular FormulaC12H15ClF3NO4S
Molecular Weight361.77 g/mol
Exact Mass361.04
IUPAC Name2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H15ClF3NO4S/c1-20-6-7-21-5-4-17-22(18,19)11-8-9(12(14,15)16)2-3-10(11)13/h2-3,8,17H,4-7H2,1H3
InChIKeyFCJVVCSWEHFNKH-UHFFFAOYSA-N
XLogP2.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 30366267
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
4-chloro-3-[2-(2-methoxyethoxy)ethylsulfamoyl]benzenecarbothioamide
CID 80695694
tert-butyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 4984455
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55353351
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 113465018
4-chloro-3-(3-methoxypropylsulfamoyl)benzoic acid
CID 19096061
2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033412
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 35389490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide (CID 86989290) is 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide is COCCOCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FCJVVCSWEHFNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO4S/c1-20-6-7-21-5-4-17-22(18,19)11-8-9(12(14,15)16)2-3-10(11)13/h2-3,8,17H,4-7H2,1H3.
What are the key properties of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 361.77 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 86989290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).