3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide

C11H13BrClNO2S — CID 65032120

IUPAC3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(Cl)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClNO2S/c12-9-2-1-3-10(6-9)17(15,16)14-7-11(13)8-4-5-8/h1-3,6,8,11,14H,4-5,7H2
InChIKeyCGIHCEZMGOPKMZ-UHFFFAOYSA-N
MW338.65 g/mol
LogP2.74
Rot. Bonds5

About 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide

3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide (PubChem CID 65032120) has the molecular formula C11H13BrClNO2S and a molecular weight of 338.65 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
PubChem CID65032120
Molecular FormulaC11H13BrClNO2S
Molecular Weight338.65 g/mol
Exact Mass336.95
IUPAC Name3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(Cl)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClNO2S/c12-9-2-1-3-10(6-9)17(15,16)14-7-11(13)8-4-5-8/h1-3,6,8,11,14H,4-5,7H2
InChIKeyCGIHCEZMGOPKMZ-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.65
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
CID 65031737
3-bromo-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763681
3-bromo-N-(3-chlorobutyl)benzenesulfonamide
CID 65033049
3-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 55105551
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582
3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63422973
3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
CID 114305198
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]benzenesulfonamide
CID 114295394
3-bromo-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835454
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155
3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 31481223

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide (CID 65032120) is 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide is O=S(=O)(NCC(Cl)C1CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide?
The InChIKey is CGIHCEZMGOPKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2S/c12-9-2-1-3-10(6-9)17(15,16)14-7-11(13)8-4-5-8/h1-3,6,8,11,14H,4-5,7H2.
What are the key properties of 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide?
3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide has a molecular weight of 338.65 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide is sourced from PubChem (CID 65032120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).