4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide

C13H15BrClNO2S — CID 31847068

IUPAC4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESO=S(=O)(NC(C1CC1)C1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H15BrClNO2S/c14-10-5-6-12(11(15)7-10)19(17,18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2
InChIKeyAWWDZDPEEGGRSI-UHFFFAOYSA-N
MW364.69 g/mol
LogP3.57
Rot. Bonds5

About 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide

4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide (PubChem CID 31847068) has the molecular formula C13H15BrClNO2S and a molecular weight of 364.69 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
PubChem CID31847068
Molecular FormulaC13H15BrClNO2S
Molecular Weight364.69 g/mol
Exact Mass362.97
IUPAC Name4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESO=S(=O)(NC(C1CC1)C1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H15BrClNO2S/c14-10-5-6-12(11(15)7-10)19(17,18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2
InChIKeyAWWDZDPEEGGRSI-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.69
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide (CID 31847068) is 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide is O=S(=O)(NC(C1CC1)C1CC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide?
The InChIKey is AWWDZDPEEGGRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2S/c14-10-5-6-12(11(15)7-10)19(17,18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2.
What are the key properties of 4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(dicyclopropylmethyl)benzenesulfonamide has a molecular weight of 364.69 g/mol, XLogP of 3.57, 5 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-(dicyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 31847068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).