N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide

C16H18N2O5S — CID 18106096

IUPACN-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
SMILESCOc1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc(OC)c1
InChIInChI=1S/C16H18N2O5S/c1-22-14-8-13(9-15(10-14)23-2)17-16(19)11-5-4-6-12(7-11)18-24(3,20)21/h4-10,18H,1-3H3,(H,17,19)
InChIKeyJKVAPBRFZUOCOT-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.33
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide

N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide (PubChem CID 18106096) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
PubChem CID18106096
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
SMILESCOc1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc(OC)c1
InChIInChI=1S/C16H18N2O5S/c1-22-14-8-13(9-15(10-14)23-2)17-16(19)11-5-4-6-12(7-11)18-24(3,20)21/h4-10,18H,1-3H3,(H,17,19)
InChIKeyJKVAPBRFZUOCOT-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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Related Compounds

4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55470366
lithium 3-[[3-(methanesulfonamido)phenyl]carbamoyl]benzenesulfonate
CID 20769669
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide (CID 18106096) is N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide is COc1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide?
The InChIKey is JKVAPBRFZUOCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-14-8-13(9-15(10-14)23-2)17-16(19)11-5-4-6-12(7-11)18-24(3,20)21/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide?
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)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-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 18106096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).