N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide

C9H11BrClNO2S — CID 171393220

IUPACN-(2-bromo-6-chlorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1c(Cl)cccc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-6(2)15(13,14)12-9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3
InChIKeyNLZUESGRLYJOOI-UHFFFAOYSA-N
MW312.62 g/mol
LogP3.25
Rot. Bonds3

About N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide

N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide (PubChem CID 171393220) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chlorophenyl)propane-2-sulfonamide
PubChem CID171393220
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC NameN-(2-bromo-6-chlorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1c(Cl)cccc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-6(2)15(13,14)12-9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3
InChIKeyNLZUESGRLYJOOI-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)propane-2-sulfonamide
CID 60864383
(2-bromo-6-chlorophenyl)hydrazine;dihydrochloride
CID 122163720
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 120782373
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
1,3-dichloro-2-(sulfamoylamino)benzene
CID 16648290
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide
CID 83083816
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-6-chloro-N-phenylaniline
CID 14369715
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide?
The IUPAC name of N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide (CID 171393220) is N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1c(Cl)cccc1Br.
What is the InChIKey of N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide?
The InChIKey is NLZUESGRLYJOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-6(2)15(13,14)12-9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3.
What are the key properties of N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide?
N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide has a molecular weight of 312.62 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 171393220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).