4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide

C14H15FN2O5S2 — CID 8903058

IUPAC4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O5S2/c1-22-14-8-5-11(16-23(2,18)19)9-13(14)17-24(20,21)12-6-3-10(15)4-7-12/h3-9,16-17H,1-2H3
InChIKeyDRNCHWNUQKXUOZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.01
Rot. Bonds6

About 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide

4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide (PubChem CID 8903058) has the molecular formula C14H15FN2O5S2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
PubChem CID8903058
Molecular FormulaC14H15FN2O5S2
Molecular Weight374.42 g/mol
Exact Mass374.04
IUPAC Name4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O5S2/c1-22-14-8-5-11(16-23(2,18)19)9-13(14)17-24(20,21)12-6-3-10(15)4-7-12/h3-9,16-17H,1-2H3
InChIKeyDRNCHWNUQKXUOZ-UHFFFAOYSA-N
XLogP2.01
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide
CID 71903150
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
1-cyclopropyl-3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]thiourea
CID 8603844
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
2,2-dichloro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004633

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide (CID 8903058) is 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide is COc1ccc(NS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide?
The InChIKey is DRNCHWNUQKXUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O5S2/c1-22-14-8-5-11(16-23(2,18)19)9-13(14)17-24(20,21)12-6-3-10(15)4-7-12/h3-9,16-17H,1-2H3.
What are the key properties of 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide?
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide is sourced from PubChem (CID 8903058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).