N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide

C17H21NO4S — CID 110757761

IUPACN-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H21NO4S/c1-17(2,3)22-13-9-11-14(12-10-13)23(19,20)18-15-7-5-6-8-16(15)21-4/h5-12,18H,1-4H3
InChIKeyLZBNLJUVNYLNBQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.67
Rot. Bonds5

About N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide

N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (PubChem CID 110757761) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
PubChem CID110757761
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H21NO4S/c1-17(2,3)22-13-9-11-14(12-10-13)23(19,20)18-15-7-5-6-8-16(15)21-4/h5-12,18H,1-4H3
InChIKeyLZBNLJUVNYLNBQ-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678993
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (CID 110757761) is N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The InChIKey is LZBNLJUVNYLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-17(2,3)22-13-9-11-14(12-10-13)23(19,20)18-15-7-5-6-8-16(15)21-4/h5-12,18H,1-4H3.
What are the key properties of N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is sourced from PubChem (CID 110757761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).