4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide

C12H20FN3O4S2 — CID 120825305

IUPAC4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(C)NC)cc1F
InChIInChI=1S/C12H20FN3O4S2/c1-4-21(17,18)16-12-6-5-10(7-11(12)13)22(19,20)15-8-9(2)14-3/h5-7,9,14-16H,4,8H2,1-3H3
InChIKeyFVJUEKCONZPDTM-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.47
Rot. Bonds8

About 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide

4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120825305) has the molecular formula C12H20FN3O4S2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120825305
Molecular FormulaC12H20FN3O4S2
Molecular Weight353.44 g/mol
Exact Mass353.09
IUPAC Name4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(C)NC)cc1F
InChIInChI=1S/C12H20FN3O4S2/c1-4-21(17,18)16-12-6-5-10(7-11(12)13)22(19,20)15-8-9(2)14-3/h5-7,9,14-16H,4,8H2,1-3H3
InChIKeyFVJUEKCONZPDTM-UHFFFAOYSA-N
XLogP0.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261
Benzenesulfonamide, 4-amino-N,N-dimethyl-
CID 74369
4-amino-N-propylbenzenesulfonamide
CID 2065546
4-Methanesulfonylamino-benzenesulfonamide
CID 2837872
4-Amino-N-(2-methylpropyl)benzenesulfonamide
CID 860617
4-Amino-N-(2-(dimethylamino)ethyl)benzenesulfonamide
CID 203438
4-Amino-N-cyclohexyl-N-methylbenzene-1-sulfonamide
CID 344191
N,N'-(Iminodiethane-2,1-Diyl)bis[4-Amino-N-(2-Methylpropyl)benzenesulfonamide]
CID 24883482
2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 2568330
N-(1-Methylethyl)-N-(2-((1-methylethyl)amino)ethyl)-4-((methylsulfonyl)amino)benzenesulfonamide
CID 60667
4-amino-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
CID 4962703

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120825305) is 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide is CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(C)NC)cc1F.
What is the InChIKey of 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is FVJUEKCONZPDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O4S2/c1-4-21(17,18)16-12-6-5-10(7-11(12)13)22(19,20)15-8-9(2)14-3/h5-7,9,14-16H,4,8H2,1-3H3.
What are the key properties of 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120825305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).