4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide

C17H20BrNO2S — CID 7938742

IUPAC4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)ccc1Br
InChIInChI=1S/C17H20BrNO2S/c1-12-11-15(9-10-16(12)18)22(20,21)19-14-7-5-13(6-8-14)17(2,3)4/h5-11,19H,1-4H3
InChIKeyLQTWQFVBRDFCDP-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.86
Rot. Bonds3

About 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide

4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide (PubChem CID 7938742) has the molecular formula C17H20BrNO2S and a molecular weight of 382.32 g/mol. Its IUPAC name is 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
PubChem CID7938742
Molecular FormulaC17H20BrNO2S
Molecular Weight382.32 g/mol
Exact Mass381.04
IUPAC Name4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)ccc1Br
InChIInChI=1S/C17H20BrNO2S/c1-12-11-15(9-10-16(12)18)22(20,21)19-14-7-5-13(6-8-14)17(2,3)4/h5-11,19H,1-4H3
InChIKeyLQTWQFVBRDFCDP-UHFFFAOYSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24650335
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
4-bromo-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
CID 42998830
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951380
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide (CID 7938742) is 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)ccc1Br.
What is the InChIKey of 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is LQTWQFVBRDFCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2S/c1-12-11-15(9-10-16(12)18)22(20,21)19-14-7-5-13(6-8-14)17(2,3)4/h5-11,19H,1-4H3.
What are the key properties of 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide?
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 382.32 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 7938742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).