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

C14H20ClNO6S — CID 155949392

IUPACN-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
SMILESCOCC(C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)C(C)OC
InChIInChI=1S/C14H20ClNO6S/c1-9(8-20-3)22-12-6-5-11(15)7-13(12)23(18,19)16-14(17)10(2)21-4/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeySBSWKXDOEXWZHT-UHFFFAOYSA-N
MW365.84 g/mol
LogP1.59
Rot. Bonds8

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

N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide (PubChem CID 155949392) has the molecular formula C14H20ClNO6S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
PubChem CID155949392
Molecular FormulaC14H20ClNO6S
Molecular Weight365.84 g/mol
Exact Mass365.07
IUPAC NameN-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
SMILESCOCC(C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)C(C)OC
InChIInChI=1S/C14H20ClNO6S/c1-9(8-20-3)22-12-6-5-11(15)7-13(12)23(18,19)16-14(17)10(2)21-4/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeySBSWKXDOEXWZHT-UHFFFAOYSA-N
XLogP1.59
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
CID 155949381
N-(4-aminobutyl)-5-chloro-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120713446
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-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
N-[2-(aminomethyl)cyclopentyl]-5-chloro-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120711097
N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 47347665
1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine
CID 120726028
2-[1-(butylamino)-1-oxopropan-2-yl]oxy-5-chlorobenzenesulfonyl chloride
CID 82911347
5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
4-[[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122091101
5-chloro-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82921733

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide?
The IUPAC name of N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide (CID 155949392) is N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide.
What is the SMILES notation for N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide?
The canonical SMILES for N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide is COCC(C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)C(C)OC.
What is the InChIKey of N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide?
The InChIKey is SBSWKXDOEXWZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO6S/c1-9(8-20-3)22-12-6-5-11(15)7-13(12)23(18,19)16-14(17)10(2)21-4/h5-7,9-10H,8H2,1-4H3,(H,16,17).
What are the key properties of N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide?
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide has a molecular weight of 365.84 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide is sourced from PubChem (CID 155949392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).