N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide

C15H22ClNO5S — CID 155949381

IUPACN-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OC(C)COC
InChIInChI=1S/C15H22ClNO5S/c1-5-10(2)15(18)17-23(19,20)14-8-12(16)6-7-13(14)22-11(3)9-21-4/h6-8,10-11H,5,9H2,1-4H3,(H,17,18)
InChIKeyACLZYMMIZRRSMV-UHFFFAOYSA-N
MW363.86 g/mol
LogP2.60
Rot. Bonds8

About N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide

N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide (PubChem CID 155949381) has the molecular formula C15H22ClNO5S and a molecular weight of 363.86 g/mol. Its IUPAC name is N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
PubChem CID155949381
Molecular FormulaC15H22ClNO5S
Molecular Weight363.86 g/mol
Exact Mass363.09
IUPAC NameN-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OC(C)COC
InChIInChI=1S/C15H22ClNO5S/c1-5-10(2)15(18)17-23(19,20)14-8-12(16)6-7-13(14)22-11(3)9-21-4/h6-8,10-11H,5,9H2,1-4H3,(H,17,18)
InChIKeyACLZYMMIZRRSMV-UHFFFAOYSA-N
XLogP2.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
CID 155949392
5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120708878
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride
CID 120713968
N-(4-aminobutyl)-5-chloro-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120713446
N-[2-(aminomethyl)cyclopentyl]-5-chloro-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120711097
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
4-[[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122091101
2-[1-(butylamino)-1-oxopropan-2-yl]oxy-5-chlorobenzenesulfonyl chloride
CID 82911347
N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide
CID 82917275
1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine
CID 120726028
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide?
The IUPAC name of N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide (CID 155949381) is N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide.
What is the SMILES notation for N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide?
The canonical SMILES for N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide is CCC(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OC(C)COC.
What is the InChIKey of N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide?
The InChIKey is ACLZYMMIZRRSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO5S/c1-5-10(2)15(18)17-23(19,20)14-8-12(16)6-7-13(14)22-11(3)9-21-4/h6-8,10-11H,5,9H2,1-4H3,(H,17,18).
What are the key properties of N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide?
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide has a molecular weight of 363.86 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide is sourced from PubChem (CID 155949381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).