N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide

C21H21FN2O5S2 — CID 71903150

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O5S2/c1-14-4-11-21(15(2)12-14)31(27,28)23-17-7-10-20(29-3)19(13-17)24-30(25,26)18-8-5-16(22)6-9-18/h4-13,23-24H,1-3H3
InChIKeyMZQCURYEAJHCMI-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.05
Rot. Bonds7

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 71903150) has the molecular formula C21H21FN2O5S2 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide
PubChem CID71903150
Molecular FormulaC21H21FN2O5S2
Molecular Weight464.54 g/mol
Exact Mass464.09
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O5S2/c1-14-4-11-21(15(2)12-14)31(27,28)23-17-7-10-20(29-3)19(13-17)24-30(25,26)18-8-5-16(22)6-9-18/h4-13,23-24H,1-3H3
InChIKeyMZQCURYEAJHCMI-UHFFFAOYSA-N
XLogP4.05
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 100691399
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide (CID 71903150) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is MZQCURYEAJHCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5S2/c1-14-4-11-21(15(2)12-14)31(27,28)23-17-7-10-20(29-3)19(13-17)24-30(25,26)18-8-5-16(22)6-9-18/h4-13,23-24H,1-3H3.
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 464.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 71903150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).