N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

C17H20ClNO5S — CID 46417535

IUPACN-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C
InChIInChI=1S/C17H20ClNO5S/c1-12-10-14(5-7-16(12)24-9-8-22-2)25(20,21)19-15-11-13(18)4-6-17(15)23-3/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyXJNPCGQGHCFESV-UHFFFAOYSA-N
MW385.87 g/mol
LogP3.48
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (PubChem CID 46417535) has the molecular formula C17H20ClNO5S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
PubChem CID46417535
Molecular FormulaC17H20ClNO5S
Molecular Weight385.87 g/mol
Exact Mass385.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C
InChIInChI=1S/C17H20ClNO5S/c1-12-10-14(5-7-16(12)24-9-8-22-2)25(20,21)19-15-11-13(18)4-6-17(15)23-3/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyXJNPCGQGHCFESV-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
CID 47063153
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935
2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
CID 3502178
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (CID 46417535) is N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is COCCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The InChIKey is XJNPCGQGHCFESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO5S/c1-12-10-14(5-7-16(12)24-9-8-22-2)25(20,21)19-15-11-13(18)4-6-17(15)23-3/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide has a molecular weight of 385.87 g/mol, XLogP of 3.48, 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-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is sourced from PubChem (CID 46417535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).