N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide

C15H18N2O6S2 — CID 25331173

IUPACN-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C15H18N2O6S2/c1-22-14-8-7-13(10-15(14)23-2)25(20,21)17-12-6-4-5-11(9-12)16-24(3,18)19/h4-10,16-17H,1-3H3
InChIKeyBFADDIFKLRUVON-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.88
Rot. Bonds7

About N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide

N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 25331173) has the molecular formula C15H18N2O6S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID25331173
Molecular FormulaC15H18N2O6S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC NameN-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C15H18N2O6S2/c1-22-14-8-7-13(10-15(14)23-2)25(20,21)17-12-6-4-5-11(9-12)16-24(3,18)19/h4-10,16-17H,1-3H3
InChIKeyBFADDIFKLRUVON-UHFFFAOYSA-N
XLogP1.88
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
2-hydroxy-5-[[3-(methanesulfonamido)phenyl]sulfamoyl]benzamide
CID 130406205
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide (CID 25331173) is N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1OC.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is BFADDIFKLRUVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S2/c1-22-14-8-7-13(10-15(14)23-2)25(20,21)17-12-6-4-5-11(9-12)16-24(3,18)19/h4-10,16-17H,1-3H3.
What are the key properties of N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide?
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 25331173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).