2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide

C17H20BrNO2S — CID 146147461

IUPAC2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccccc2C(C)C)cc1C
InChIInChI=1S/C17H20BrNO2S/c1-11(2)14-7-5-6-8-16(14)19-22(20,21)17-10-13(4)12(3)9-15(17)18/h5-11,19H,1-4H3
InChIKeyCZRGDMCKOKUUEC-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.99
Rot. Bonds4

About 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide

2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 146147461) has the molecular formula C17H20BrNO2S and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
PubChem CID146147461
Molecular FormulaC17H20BrNO2S
Molecular Weight382.32 g/mol
Exact Mass381.04
IUPAC Name2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccccc2C(C)C)cc1C
InChIInChI=1S/C17H20BrNO2S/c1-11(2)14-7-5-6-8-16(14)19-22(20,21)17-10-13(4)12(3)9-15(17)18/h5-11,19H,1-4H3
InChIKeyCZRGDMCKOKUUEC-UHFFFAOYSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43258274
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
CID 114294156
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
methyl 5-bromo-2-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 51557833
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166373629
4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 60723660
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 60533204
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide (CID 146147461) is 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2C(C)C)cc1C.
What is the InChIKey of 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is CZRGDMCKOKUUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2S/c1-11(2)14-7-5-6-8-16(14)19-22(20,21)17-10-13(4)12(3)9-15(17)18/h5-11,19H,1-4H3.
What are the key properties of 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide?
2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 382.32 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 146147461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).