3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate

C16H16NO6S- — CID 8822569

IUPAC3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
SMILESCOc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc(OC)c1
InChIInChI=1S/C16H17NO6S/c1-10-4-5-11(16(18)19)6-15(10)24(20,21)17-12-7-13(22-2)9-14(8-12)23-3/h4-9,17H,1-3H3,(H,18,19)/p-1
InChIKeyBFUASUBQFCCDDH-UHFFFAOYSA-M
MW350.37 g/mol
LogP1.18
Rot. Bonds6

About 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate

3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate (PubChem CID 8822569) has the molecular formula C16H16NO6S- and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
PubChem CID8822569
Molecular FormulaC16H16NO6S-
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
SMILESCOc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc(OC)c1
InChIInChI=1S/C16H17NO6S/c1-10-4-5-11(16(18)19)6-15(10)24(20,21)17-12-7-13(22-2)9-14(8-12)23-3/h4-9,17H,1-3H3,(H,18,19)/p-1
InChIKeyBFUASUBQFCCDDH-UHFFFAOYSA-M
XLogP1.18
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501
4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516474
3-[(3-bromophenyl)sulfamoyl]-4-methylbenzoate
CID 8822291
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate
CID 7286055
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate
CID 7024656

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate (CID 8822569) is 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate is COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate?
The InChIKey is BFUASUBQFCCDDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17NO6S/c1-10-4-5-11(16(18)19)6-15(10)24(20,21)17-12-7-13(22-2)9-14(8-12)23-3/h4-9,17H,1-3H3,(H,18,19)/p-1.
What are the key properties of 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate?
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate has a molecular weight of 350.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 8822569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).