3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride

C12H15BrClNO3S — CID 65368395

IUPAC3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(C)(C)NC(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15BrClNO3S/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(6-8)19(14,17)18/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyLPDWGYADGLDTMT-UHFFFAOYSA-N
MW368.68 g/mol
LogP3.30
Rot. Bonds4

About 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride

3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368395) has the molecular formula C12H15BrClNO3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368395
Molecular FormulaC12H15BrClNO3S
Molecular Weight368.68 g/mol
Exact Mass366.96
IUPAC Name3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(C)(C)NC(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15BrClNO3S/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(6-8)19(14,17)18/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyLPDWGYADGLDTMT-UHFFFAOYSA-N
XLogP3.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(2,2-dimethylpropylcarbamoyl)benzenesulfonyl chloride
CID 65371168
3-bromo-5-[(2-ethoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 114942395
3-bromo-2-methoxy-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65369014
3,4-difluoro-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368447
2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 140870096
3-chloro-5-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 113470451
3-bromo-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106292523
3-bromo-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213459
3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55892094
2-(2-methoxyethoxy)ethyl 3-bromo-5-chlorosulfonylbenzoate
CID 104567910
3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 113470453
3-bromo-5-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173076

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65368395) is 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride is CCC(C)(C)NC(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is LPDWGYADGLDTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3S/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(6-8)19(14,17)18/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride?
3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 368.68 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).