N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide

C8H10BrF2NO2S2 — CID 107492734

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCBr)CC(F)F
InChIInChI=1S/C8H10BrF2NO2S2/c9-3-4-12(6-7(10)11)16(13,14)8-2-1-5-15-8/h1-2,5,7H,3-4,6H2
InChIKeyBSIGNFVXWVPQQQ-UHFFFAOYSA-N
MW334.21 g/mol
LogP2.40
Rot. Bonds6

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide (PubChem CID 107492734) has the molecular formula C8H10BrF2NO2S2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
PubChem CID107492734
Molecular FormulaC8H10BrF2NO2S2
Molecular Weight334.21 g/mol
Exact Mass332.93
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCBr)CC(F)F
InChIInChI=1S/C8H10BrF2NO2S2/c9-3-4-12(6-7(10)11)16(13,14)8-2-1-5-15-8/h1-2,5,7H,3-4,6H2
InChIKeyBSIGNFVXWVPQQQ-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 80671711
2-(difluoromethylsulfonyl)thiophene
CID 82076235
N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
CID 63396454
2,2-difluoroethyl thiophene-2-sulfonate
CID 169095947
N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide
CID 63397170
N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide
CID 2374178
N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 63396974
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 20934401
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 55206830

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide (CID 107492734) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The InChIKey is BSIGNFVXWVPQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NO2S2/c9-3-4-12(6-7(10)11)16(13,14)8-2-1-5-15-8/h1-2,5,7H,3-4,6H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide has a molecular weight of 334.21 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107492734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).