N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide

C15H18N2O5S2 — CID 169373450

IUPACN-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H18N2O5S2/c1-11-4-7-13(8-5-11)24(20,21)16-12-6-9-15(22-2)14(10-12)17-23(3,18)19/h4-10,16-17H,1-3H3
InChIKeyNMFRFGUXHYYQLF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.18
Rot. Bonds6

About N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide

N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide (PubChem CID 169373450) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
PubChem CID169373450
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H18N2O5S2/c1-11-4-7-13(8-5-11)24(20,21)16-12-6-9-15(22-2)14(10-12)17-23(3,18)19/h4-10,16-17H,1-3H3
InChIKeyNMFRFGUXHYYQLF-UHFFFAOYSA-N
XLogP2.18
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 55559864
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide
CID 71903150
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99941336
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide (CID 169373450) is N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide?
The InChIKey is NMFRFGUXHYYQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-11-4-7-13(8-5-11)24(20,21)16-12-6-9-15(22-2)14(10-12)17-23(3,18)19/h4-10,16-17H,1-3H3.
What are the key properties of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide?
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).