4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide

C8H7BrClF2NO2S — CID 79089778

IUPAC4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClF2NO2S/c9-5-1-2-7(6(10)3-5)16(14,15)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyBMIZCWCXZJMQBU-UHFFFAOYSA-N
MW334.57 g/mol
LogP2.65
Rot. Bonds4

About 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide

4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 79089778) has the molecular formula C8H7BrClF2NO2S and a molecular weight of 334.57 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID79089778
Molecular FormulaC8H7BrClF2NO2S
Molecular Weight334.57 g/mol
Exact Mass332.90
IUPAC Name4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClF2NO2S/c9-5-1-2-7(6(10)3-5)16(14,15)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyBMIZCWCXZJMQBU-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.57
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 116528761
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide
CID 114298824
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-2-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256254
4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153584
2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
CID 79090264
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide (CID 79089778) is 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)F)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is BMIZCWCXZJMQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO2S/c9-5-1-2-7(6(10)3-5)16(14,15)13-4-8(11)12/h1-3,8,13H,4H2.
What are the key properties of 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide has a molecular weight of 334.57 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 79089778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).