3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide

C17H20ClNO5S — CID 73168543

IUPAC3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc(OC)c(Cl)c2)OC)c1
InChIInChI=1S/C17H20ClNO5S/c1-22-13-6-4-5-12(9-13)17(24-3)11-19-25(20,21)14-7-8-16(23-2)15(18)10-14/h4-10,17,19H,11H2,1-3H3
InChIKeyYPHCMSBVYPJOGK-UHFFFAOYSA-N
MW385.87 g/mol
LogP3.02
Rot. Bonds8

About 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide

3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 73168543) has the molecular formula C17H20ClNO5S and a molecular weight of 385.87 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID73168543
Molecular FormulaC17H20ClNO5S
Molecular Weight385.87 g/mol
Exact Mass385.08
IUPAC Name3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc(OC)c(Cl)c2)OC)c1
InChIInChI=1S/C17H20ClNO5S/c1-22-13-6-4-5-12(9-13)17(24-3)11-19-25(20,21)14-7-8-16(23-2)15(18)10-14/h4-10,17,19H,11H2,1-3H3
InChIKeyYPHCMSBVYPJOGK-UHFFFAOYSA-N
XLogP3.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489
2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 90623505
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 90623533
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
4-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153478
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 51473251

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 73168543) is 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide is COc1cccc(C(CNS(=O)(=O)c2ccc(OC)c(Cl)c2)OC)c1.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is YPHCMSBVYPJOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO5S/c1-22-13-6-4-5-12(9-13)17(24-3)11-19-25(20,21)14-7-8-16(23-2)15(18)10-14/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 385.87 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 73168543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).