5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide

C9H11BrClNO2S — CID 146486633

IUPAC5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C9H11BrClNO2S/c1-6-4-8(11)7(10)5-9(6)15(13,14)12(2)3/h4-5H,1-3H3
InChIKeyYRBKGLYGCNDSDV-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.66
Rot. Bonds2

About 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide

5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide (PubChem CID 146486633) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide
PubChem CID146486633
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC Name5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C9H11BrClNO2S/c1-6-4-8(11)7(10)5-9(6)15(13,14)12(2)3/h4-5H,1-3H3
InChIKeyYRBKGLYGCNDSDV-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4-chloro-2-methylbenzene-1-sulfonyl chloride
CID 89310806
5-Bromo-4-chloro-2-methylbenzene-1-sulfonamide
CID 125462136
5-Bromo-4-chloro-2-methylbenzene-1-sulfonyl fluoride
CID 165459222
3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide
CID 106545094
3-bromo-4-chloro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 106546707
3-Bromo-2-chloro-6-methylbenzenesulfonamide
CID 131538709
5-Bromo-4-chloro-N-isopropyl-2-methylbenzenesulfonamide
CID 164889460
Sodium 5-bromo-4-chloro-2-methylbenzene-1-sulfinate
CID 165455997
5-Bromo-4-chloro-2-methylbenzenesulfinic acid
CID 165455998
5-bromo-N-(tert-butyl)-4-chloro-2-methylbenzenesulfonamide
CID 166594989
3-Bromo-4-chloro-2-methylbenzenesulfonamide
CID 171001899

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide (CID 146486633) is 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide is Cc1cc(Cl)c(Br)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is YRBKGLYGCNDSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-6-4-8(11)7(10)5-9(6)15(13,14)12(2)3/h4-5H,1-3H3.
What are the key properties of 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide?
5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 312.62 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 146486633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).