4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide

C14H20BrClN2O2S — CID 105420154

IUPAC4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)CCC1
InChIInChI=1S/C14H20BrClN2O2S/c1-17(2)14(7-4-8-14)10-18(3)21(19,20)13-6-5-11(15)9-12(13)16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyZIBNSHNKECQDLD-UHFFFAOYSA-N
MW395.75 g/mol
LogP3.21
Rot. Bonds5

About 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide

4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide (PubChem CID 105420154) has the molecular formula C14H20BrClN2O2S and a molecular weight of 395.75 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
PubChem CID105420154
Molecular FormulaC14H20BrClN2O2S
Molecular Weight395.75 g/mol
Exact Mass394.01
IUPAC Name4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)CCC1
InChIInChI=1S/C14H20BrClN2O2S/c1-17(2)14(7-4-8-14)10-18(3)21(19,20)13-6-5-11(15)9-12(13)16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyZIBNSHNKECQDLD-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.75
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
CID 39965306
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413736
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 61066587
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 105421404
2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105416124

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide (CID 105420154) is 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide is CN(C)C1(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)CCC1.
What is the InChIKey of 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is ZIBNSHNKECQDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O2S/c1-17(2)14(7-4-8-14)10-18(3)21(19,20)13-6-5-11(15)9-12(13)16/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 395.75 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 105420154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).