4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide

C12H14BrNO3S — CID 136542591

IUPAC4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide
SMILESCc1cc(C(=O)NS(=O)(=O)C2(C)CC2)ccc1Br
InChIInChI=1S/C12H14BrNO3S/c1-8-7-9(3-4-10(8)13)11(15)14-18(16,17)12(2)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyDTLBLVAINXMIGT-UHFFFAOYSA-N
MW332.22 g/mol
LogP2.37
Rot. Bonds3

About 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide

4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide (PubChem CID 136542591) has the molecular formula C12H14BrNO3S and a molecular weight of 332.22 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide
PubChem CID136542591
Molecular FormulaC12H14BrNO3S
Molecular Weight332.22 g/mol
Exact Mass330.99
IUPAC Name4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide
SMILESCc1cc(C(=O)NS(=O)(=O)C2(C)CC2)ccc1Br
InChIInChI=1S/C12H14BrNO3S/c1-8-7-9(3-4-10(8)13)11(15)14-18(16,17)12(2)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyDTLBLVAINXMIGT-UHFFFAOYSA-N
XLogP2.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
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3-bromo-4-methyl-N-methylsulfonylbenzamide
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4-bromo-N-ethyl-3-methylbenzamide
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4-bromo-N-cyclopentyl-3-methylbenzamide
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4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
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4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023
4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103855353
aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
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CID 7303366

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide?
The IUPAC name of 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide (CID 136542591) is 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide is Cc1cc(C(=O)NS(=O)(=O)C2(C)CC2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide?
The InChIKey is DTLBLVAINXMIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3S/c1-8-7-9(3-4-10(8)13)11(15)14-18(16,17)12(2)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide?
4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide has a molecular weight of 332.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide is sourced from PubChem (CID 136542591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).