2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride

C11H15F2NO6S3 — CID 2829825

IUPAC2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride
SMILESCc1ccc(S(=O)(=O)N(CCS(=O)(=O)F)CCS(=O)(=O)F)cc1
InChIInChI=1S/C11H15F2NO6S3/c1-10-2-4-11(5-3-10)23(19,20)14(6-8-21(12,15)16)7-9-22(13,17)18/h2-5H,6-9H2,1H3
InChIKeyUJHKJTBZDLDNIP-UHFFFAOYSA-N
MW391.44 g/mol
LogP0.58
Rot. Bonds8

About 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride

2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride (PubChem CID 2829825) has the molecular formula C11H15F2NO6S3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride
PubChem CID2829825
Molecular FormulaC11H15F2NO6S3
Molecular Weight391.44 g/mol
Exact Mass391.00
IUPAC Name2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride
SMILESCc1ccc(S(=O)(=O)N(CCS(=O)(=O)F)CCS(=O)(=O)F)cc1
InChIInChI=1S/C11H15F2NO6S3/c1-10-2-4-11(5-3-10)23(19,20)14(6-8-21(12,15)16)7-9-22(13,17)18/h2-5H,6-9H2,1H3
InChIKeyUJHKJTBZDLDNIP-UHFFFAOYSA-N
XLogP0.58
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonyl-(2-fluorosulfonylethyl)amino]ethanesulfonyl fluoride
CID 3135680
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N,N-bis(7-bromoheptyl)-4-methylbenzenesulfonamide
CID 10673655
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride?
The IUPAC name of 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride (CID 2829825) is 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride is Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)F)CCS(=O)(=O)F)cc1.
What is the InChIKey of 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride?
The InChIKey is UJHKJTBZDLDNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO6S3/c1-10-2-4-11(5-3-10)23(19,20)14(6-8-21(12,15)16)7-9-22(13,17)18/h2-5H,6-9H2,1H3.
What are the key properties of 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride?
2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride has a molecular weight of 391.44 g/mol, XLogP of 0.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride is sourced from PubChem (CID 2829825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).