N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide

C14H13BrClNO2S — CID 50876708

IUPACN-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C14H13BrClNO2S/c1-10-7-12(15)14(8-13(10)16)20(18,19)17-9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3
InChIKeyLVOPQUZBEAWURL-UHFFFAOYSA-N
MW374.69 g/mol
LogP3.89
Rot. Bonds4

About N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide

N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide (PubChem CID 50876708) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide
PubChem CID50876708
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC NameN-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C14H13BrClNO2S/c1-10-7-12(15)14(8-13(10)16)20(18,19)17-9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3
InChIKeyLVOPQUZBEAWURL-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
CID 50876820
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 91669643
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
4-amino-3-N-benzyl-6-chlorobenzene-1,3-disulfonamide
CID 2817713
2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 25041194
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205191
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide (CID 50876708) is N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NCc2ccccc2)cc1Cl.
What is the InChIKey of N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide?
The InChIKey is LVOPQUZBEAWURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-10-7-12(15)14(8-13(10)16)20(18,19)17-9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3.
What are the key properties of N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide?
N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 50876708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).