4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide

C11H13BrClNO2S — CID 47113577

IUPAC4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C11H13BrClNO2S/c1-7(8-2-3-8)14-17(15,16)11-5-4-9(12)6-10(11)13/h4-8,14H,2-3H2,1H3
InChIKeyDLFYJNVHBWRTJT-UHFFFAOYSA-N
MW338.65 g/mol
LogP3.18
Rot. Bonds4

About 4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide

4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide (PubChem CID 47113577) has the molecular formula C11H13BrClNO2S and a molecular weight of 338.65 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
PubChem CID47113577
Molecular FormulaC11H13BrClNO2S
Molecular Weight338.65 g/mol
Exact Mass336.95
IUPAC Name4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C11H13BrClNO2S/c1-7(8-2-3-8)14-17(15,16)11-5-4-9(12)6-10(11)13/h4-8,14H,2-3H2,1H3
InChIKeyDLFYJNVHBWRTJT-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.65
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282
2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
4-bromo-2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207385
4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
CID 62090104

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide (CID 47113577) is 4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)cc1Cl)C1CC1.
What is the InChIKey of 4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide?
The InChIKey is DLFYJNVHBWRTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2S/c1-7(8-2-3-8)14-17(15,16)11-5-4-9(12)6-10(11)13/h4-8,14H,2-3H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide has a molecular weight of 338.65 g/mol, XLogP of 3.18, 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-(1-cyclopropylethyl)benzenesulfonamide is sourced from PubChem (CID 47113577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).