2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide

C14H21ClN2O5S — CID 43890329

IUPAC2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NCCCO
InChIInChI=1S/C14H21ClN2O5S/c1-3-22-12-6-5-11(15)9-13(12)23(20,21)17-10(2)14(19)16-7-4-8-18/h5-6,9-10,17-18H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeySUFSJIHHWKUGGI-UHFFFAOYSA-N
MW364.85 g/mol
LogP0.90
Rot. Bonds9

About 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide (PubChem CID 43890329) has the molecular formula C14H21ClN2O5S and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide
PubChem CID43890329
Molecular FormulaC14H21ClN2O5S
Molecular Weight364.85 g/mol
Exact Mass364.09
IUPAC Name2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NCCCO
InChIInChI=1S/C14H21ClN2O5S/c1-3-22-12-6-5-11(15)9-13(12)23(20,21)17-10(2)14(19)16-7-4-8-18/h5-6,9-10,17-18H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeySUFSJIHHWKUGGI-UHFFFAOYSA-N
XLogP0.90
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890415
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890368
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)propanamide
CID 126397173
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 43890350
methyl 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzoate
CID 43890406
4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide
CID 43890408
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 43890349
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 43890925
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 43890939
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 40932030

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide (CID 43890329) is 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide is CCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NCCCO.
What is the InChIKey of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide?
The InChIKey is SUFSJIHHWKUGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O5S/c1-3-22-12-6-5-11(15)9-13(12)23(20,21)17-10(2)14(19)16-7-4-8-18/h5-6,9-10,17-18H,3-4,7-8H2,1-2H3,(H,16,19).
What are the key properties of 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide?
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide has a molecular weight of 364.85 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 43890329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).