2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid

C17H19NO5S — CID 51113766

IUPAC2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(=O)O
InChIInChI=1S/C17H19NO5S/c1-11(2)23-14-7-5-13(6-8-14)18-24(21,22)15-9-4-12(3)16(10-15)17(19)20/h4-11,18H,1-3H3,(H,19,20)
InChIKeyVREWQQHZPBPIOE-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.28
Rot. Bonds6

About 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid

2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid (PubChem CID 51113766) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
PubChem CID51113766
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(=O)O
InChIInChI=1S/C17H19NO5S/c1-11(2)23-14-7-5-13(6-8-14)18-24(21,22)15-9-4-12(3)16(10-15)17(19)20/h4-11,18H,1-3H3,(H,19,20)
InChIKeyVREWQQHZPBPIOE-UHFFFAOYSA-N
XLogP3.28
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937182
2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
CID 58937102
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 4951888
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43004149
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
2-methyl-5-[[4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]phenyl]sulfamoyl]benzoic acid
CID 58937146
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 38502673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid (CID 51113766) is 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is VREWQQHZPBPIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-11(2)23-14-7-5-13(6-8-14)18-24(21,22)15-9-4-12(3)16(10-15)17(19)20/h4-11,18H,1-3H3,(H,19,20).
What are the key properties of 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid?
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 349.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 51113766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).