3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide

C11H15BrClNO2S — CID 170743837

IUPAC3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
SMILESCc1c(Cl)cc(S(=O)(=O)NC(C)(C)C)cc1Br
InChIInChI=1S/C11H15BrClNO2S/c1-7-9(12)5-8(6-10(7)13)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyYIKUDROAHGKSOK-UHFFFAOYSA-N
MW340.67 g/mol
LogP3.49
Rot. Bonds2

About 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide

3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide (PubChem CID 170743837) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
PubChem CID170743837
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC Name3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
SMILESCc1c(Cl)cc(S(=O)(=O)NC(C)(C)C)cc1Br
InChIInChI=1S/C11H15BrClNO2S/c1-7-9(12)5-8(6-10(7)13)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyYIKUDROAHGKSOK-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-5-chloro-4-methylbenzenesulfonic acid
CID 54235186
5-Bromo-3-chloro-2-methylbenzenesulfonamide
CID 131415088
4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide
CID 142614263
3-Bromo-5-chloro-4-methylbenzenesulfonyl chloride
CID 170565395
N-(3-bromo-5-chloro-4-methylphenyl)sulfanylethanamine
CID 170743765
2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide
CID 50876697
2-bromo-5-chloro-N-isopropyl-4-methylbenzenesulfonamide
CID 50876700
(Tert-butyl)[(2-bromo-5-chloro-4-methylphenyl)sulfonyl]amine
CID 50876707
3-Bromo-5-chloro-2-methylbenzenesulfonamide
CID 53443946
4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide
CID 138050025
2-bromo-5-chloro-4-methyl-N-propylbenzene-1-sulfonamide
CID 165481900
3-Bromo-5-chloro-4-methylbenzenesulfonamide
CID 171001921

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide (CID 170743837) is 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide is Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)C)cc1Br.
What is the InChIKey of 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide?
The InChIKey is YIKUDROAHGKSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-7-9(12)5-8(6-10(7)13)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3.
What are the key properties of 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide?
3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide has a molecular weight of 340.67 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 170743837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).