3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide

C17H20ClNO5S — CID 167951708

IUPAC3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide
SMILESCCCOc1ccc(CNS(=O)(=O)c2cccc(Cl)c2O)cc1OC
InChIInChI=1S/C17H20ClNO5S/c1-3-9-24-14-8-7-12(10-15(14)23-2)11-19-25(21,22)16-6-4-5-13(18)17(16)20/h4-8,10,19-20H,3,9,11H2,1-2H3
InChIKeyIJRHWGWGMAECGE-UHFFFAOYSA-N
MW385.87 g/mol
LogP3.32
Rot. Bonds8

About 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide

3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide (PubChem CID 167951708) has the molecular formula C17H20ClNO5S and a molecular weight of 385.87 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide
PubChem CID167951708
Molecular FormulaC17H20ClNO5S
Molecular Weight385.87 g/mol
Exact Mass385.08
IUPAC Name3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide
SMILESCCCOc1ccc(CNS(=O)(=O)c2cccc(Cl)c2O)cc1OC
InChIInChI=1S/C17H20ClNO5S/c1-3-9-24-14-8-7-12(10-15(14)23-2)11-19-25(21,22)16-6-4-5-13(18)17(16)20/h4-8,10,19-20H,3,9,11H2,1-2H3
InChIKeyIJRHWGWGMAECGE-UHFFFAOYSA-N
XLogP3.32
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22203272
1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 110932531
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 46772712
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 8819063

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide (CID 167951708) is 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide is CCCOc1ccc(CNS(=O)(=O)c2cccc(Cl)c2O)cc1OC.
What is the InChIKey of 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is IJRHWGWGMAECGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO5S/c1-3-9-24-14-8-7-12(10-15(14)23-2)11-19-25(21,22)16-6-4-5-13(18)17(16)20/h4-8,10,19-20H,3,9,11H2,1-2H3.
What are the key properties of 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide?
3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 385.87 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 167951708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).