N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide

C15H17FN2O4S2 — CID 113069714

IUPACN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C15H17FN2O4S2/c1-23(19,20)18(15-10-6-5-9-14(15)16)12-11-17-24(21,22)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3
InChIKeyRNODBSJGWVVEJT-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide (PubChem CID 113069714) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
PubChem CID113069714
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC NameN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C15H17FN2O4S2/c1-23(19,20)18(15-10-6-5-9-14(15)16)12-11-17-24(21,22)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3
InChIKeyRNODBSJGWVVEJT-UHFFFAOYSA-N
XLogP1.57
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113069709
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
CID 113069717
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068589
N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065032
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113069707
N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064904
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113068891
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069660
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide (CID 113069714) is N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide is CS(=O)(=O)N(CCNS(=O)(=O)c1ccccc1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The InChIKey is RNODBSJGWVVEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c1-23(19,20)18(15-10-6-5-9-14(15)16)12-11-17-24(21,22)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3.
What are the key properties of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide?
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide has a molecular weight of 372.44 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 113069714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).