N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide

C16H18N2O5S — CID 1320984

IUPACN-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NS(C)(=O)=O)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C16H18N2O5S/c1-22-14-10-13(18-24(3,20)21)15(23-2)9-12(14)17-16(19)11-7-5-4-6-8-11/h4-10,18H,1-3H3,(H,17,19)
InChIKeyQPRYRBICZFQFST-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.33
Rot. Bonds6

About N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide

N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide (PubChem CID 1320984) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide
PubChem CID1320984
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NS(C)(=O)=O)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C16H18N2O5S/c1-22-14-10-13(18-24(3,20)21)15(23-2)9-12(14)17-16(19)11-7-5-4-6-8-11/h4-10,18H,1-3H3,(H,17,19)
InChIKeyQPRYRBICZFQFST-UHFFFAOYSA-N
XLogP2.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide (CID 1320984) is N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide is COc1cc(NS(C)(=O)=O)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide?
The InChIKey is QPRYRBICZFQFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-14-10-13(18-24(3,20)21)15(23-2)9-12(14)17-16(19)11-7-5-4-6-8-11/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide?
N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide has a molecular weight of 350.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 1320984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).