N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide

C12H17FN2O4S2 — CID 113065161

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H17FN2O4S2/c1-20(16,17)15(11-4-5-11)9-8-14-21(18,19)12-6-2-10(13)3-7-12/h2-3,6-7,11,14H,4-5,8-9H2,1H3
InChIKeyANULNRZSKOWXEU-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.53
Rot. Bonds7

About N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide

N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide (PubChem CID 113065161) has the molecular formula C12H17FN2O4S2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
PubChem CID113065161
Molecular FormulaC12H17FN2O4S2
Molecular Weight336.41 g/mol
Exact Mass336.06
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H17FN2O4S2/c1-20(16,17)15(11-4-5-11)9-8-14-21(18,19)12-6-2-10(13)3-7-12/h2-3,6-7,11,14H,4-5,8-9H2,1H3
InChIKeyANULNRZSKOWXEU-UHFFFAOYSA-N
XLogP0.53
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113065192
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 113065868
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113065190
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065646
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113065184
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide (CID 113065161) is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide is CS(=O)(=O)N(CCNS(=O)(=O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is ANULNRZSKOWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S2/c1-20(16,17)15(11-4-5-11)9-8-14-21(18,19)12-6-2-10(13)3-7-12/h2-3,6-7,11,14H,4-5,8-9H2,1H3.
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113065161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).