4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide

C11H15BrClNO2S — CID 138050025

IUPAC4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)c(Cl)cc1Br
InChIInChI=1S/C11H15BrClNO2S/c1-7-5-10(9(13)6-8(7)12)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyBROKCKYRPJEAIE-UHFFFAOYSA-N
MW340.67 g/mol
LogP3.49
Rot. Bonds2

About 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide

4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide (PubChem CID 138050025) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide
PubChem CID138050025
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC Name4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)c(Cl)cc1Br
InChIInChI=1S/C11H15BrClNO2S/c1-7-5-10(9(13)6-8(7)12)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyBROKCKYRPJEAIE-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

Analyze 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-4-Bromo-2-chloro-3-(difluoromethyl)-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide
CID 121301965
4-bromo-2-chloro-3-(difluoromethyl)-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide
CID 121301966
4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
CID 121302158
4-bromo-2-chloro-3-(difluoromethyl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide
CID 121302159
4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide
CID 121313309
4-bromo-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 8470674
[(4-Bromo-2-chloro-5-methylphenyl)sulfonyl](1-ethyl-2-hydroxyethyl)amine
CID 47071436
4-bromo-N-tert-butyl-2-chlorobenzenesulfonamide
CID 8405634
4-bromo-N-tert-butyl-2,6-dichlorobenzene-1-sulfonamide
CID 47104119
3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
CID 170743837
4-bromo-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 30325680
1-[(4-Bromo-2-chloro-5-methylphenyl)sulfonyl]pyrrolidine
CID 39845689

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide (CID 138050025) is 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)C)c(Cl)cc1Br.
What is the InChIKey of 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide?
The InChIKey is BROKCKYRPJEAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-7-5-10(9(13)6-8(7)12)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3.
What are the key properties of 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide?
4-bromo-N-tert-butyl-2-chloro-5-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 4-bromo-N-tert-butyl-2-chloro-5-methylbenzenesulfonamide is sourced from PubChem (CID 138050025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).