N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide

C17H20ClNO5S — CID 90623899

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(OC)c2ccccc2Cl)cc1OC
InChIInChI=1S/C17H20ClNO5S/c1-22-15-9-8-12(10-16(15)23-2)25(20,21)19-11-17(24-3)13-6-4-5-7-14(13)18/h4-10,17,19H,11H2,1-3H3
InChIKeyUMANRVRKSZYVBU-UHFFFAOYSA-N
MW385.87 g/mol
LogP3.02
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 90623899) has the molecular formula C17H20ClNO5S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID90623899
Molecular FormulaC17H20ClNO5S
Molecular Weight385.87 g/mol
Exact Mass385.08
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(OC)c2ccccc2Cl)cc1OC
InChIInChI=1S/C17H20ClNO5S/c1-22-15-9-8-12(10-16(15)23-2)25(20,21)19-11-17(24-3)13-6-4-5-7-14(13)18/h4-10,17,19H,11H2,1-3H3
InChIKeyUMANRVRKSZYVBU-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-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide
CID 90623875
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate
CID 99876233
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 99698254
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598155
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90598156
N-[4,5-dichloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567259

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide (CID 90623899) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(OC)c2ccccc2Cl)cc1OC.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is UMANRVRKSZYVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO5S/c1-22-15-9-8-12(10-16(15)23-2)25(20,21)19-11-17(24-3)13-6-4-5-7-14(13)18/h4-10,17,19H,11H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide 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 N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 90623899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).