3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide

C12H16BrClN2O2S — CID 120999700

IUPAC3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C12H16BrClN2O2S/c1-16(9-5-7-15-8-6-9)19(17,18)11-4-2-3-10(13)12(11)14/h2-4,9,15H,5-8H2,1H3
InChIKeyRZCPSLVWIPFAJB-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.47
Rot. Bonds3

About 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide

3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 120999700) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID120999700
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC Name3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C12H16BrClN2O2S/c1-16(9-5-7-15-8-6-9)19(17,18)11-4-2-3-10(13)12(11)14/h2-4,9,15H,5-8H2,1H3
InChIKeyRZCPSLVWIPFAJB-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-2,3-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709932
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604
4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965599
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943
2-bromo-5-chloro-4-methoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965987
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
CID 54952440
5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709937
N,2-dimethyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965866
N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
CID 43606886
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide (CID 120999700) is 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide is CN(C1CCNCC1)S(=O)(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is RZCPSLVWIPFAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c1-16(9-5-7-15-8-6-9)19(17,18)11-4-2-3-10(13)12(11)14/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 367.70 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 120999700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).