3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide

C15H21ClN2O5S — CID 167930626

IUPAC3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)CNS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1
InChIInChI=1S/C15H21ClN2O5S/c1-17-15(20)12(19)9-18-24(21,22)14-8-11(16)4-5-13(14)23-7-6-10-2-3-10/h4-5,8,10,12,18-19H,2-3,6-7,9H2,1H3,(H,17,20)
InChIKeyJUNKJMCANXXPGI-UHFFFAOYSA-N
MW376.86 g/mol
LogP0.90
Rot. Bonds9

About 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide

3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide (PubChem CID 167930626) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide
PubChem CID167930626
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)CNS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1
InChIInChI=1S/C15H21ClN2O5S/c1-17-15(20)12(19)9-18-24(21,22)14-8-11(16)4-5-13(14)23-7-6-10-2-3-10/h4-5,8,10,12,18-19H,2-3,6-7,9H2,1H3,(H,17,20)
InChIKeyJUNKJMCANXXPGI-UHFFFAOYSA-N
XLogP0.90
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(2-cyclopropylethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825342
N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
CID 126779567
5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride
CID 165460566
5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 154755410
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid
CID 165453775
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
(3S)-1-[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonyl-3-(difluoromethoxy)pyrrolidine
CID 126812285
5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921961

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide?
The IUPAC name of 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide (CID 167930626) is 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide is CNC(=O)C(O)CNS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1.
What is the InChIKey of 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide?
The InChIKey is JUNKJMCANXXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-17-15(20)12(19)9-18-24(21,22)14-8-11(16)4-5-13(14)23-7-6-10-2-3-10/h4-5,8,10,12,18-19H,2-3,6-7,9H2,1H3,(H,17,20).
What are the key properties of 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide?
3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide has a molecular weight of 376.86 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 3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 167930626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).