3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide

C12H16BrClN2O3S — CID 61061030

IUPAC3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c1-2-6-15-12(17)5-7-16-20(18,19)11-4-3-9(13)8-10(11)14/h3-4,8,16H,2,5-7H2,1H3,(H,15,17)
InChIKeySGZUQENHELEOCD-UHFFFAOYSA-N
MW383.70 g/mol
LogP2.30
Rot. Bonds7

About 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide

3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 61061030) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID61061030
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c1-2-6-15-12(17)5-7-16-20(18,19)11-4-3-9(13)8-10(11)14/h3-4,8,16H,2,5-7H2,1H3,(H,15,17)
InChIKeySGZUQENHELEOCD-UHFFFAOYSA-N
XLogP2.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 61060914
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65110641
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 40753294
N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide
CID 106387039
4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372
4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 113238999
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide
CID 17428914
4-bromo-2-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256254

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide (CID 61061030) is 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is SGZUQENHELEOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c1-2-6-15-12(17)5-7-16-20(18,19)11-4-3-9(13)8-10(11)14/h3-4,8,16H,2,5-7H2,1H3,(H,15,17).
What are the key properties of 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide?
3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 383.70 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 61061030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).