2-bromo-N-(cyclopropylmethylsulfonyl)benzamide

C11H12BrNO3S — CID 129188643

IUPAC2-bromo-N-(cyclopropylmethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)CC1CC1)c1ccccc1Br
InChIInChI=1S/C11H12BrNO3S/c12-10-4-2-1-3-9(10)11(14)13-17(15,16)7-8-5-6-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyYFOBCVPQHAZNJP-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.92
Rot. Bonds4

About 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide

2-bromo-N-(cyclopropylmethylsulfonyl)benzamide (PubChem CID 129188643) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethylsulfonyl)benzamide
PubChem CID129188643
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name2-bromo-N-(cyclopropylmethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)CC1CC1)c1ccccc1Br
InChIInChI=1S/C11H12BrNO3S/c12-10-4-2-1-3-9(10)11(14)13-17(15,16)7-8-5-6-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyYFOBCVPQHAZNJP-UHFFFAOYSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide
CID 75494405
2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 3410866
2-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625164
N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide
CID 84586316
2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 4143274
2-bromo-N-(thiolan-3-ylmethyl)benzamide
CID 107296407
2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 47436865
N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 84598693
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61120816
N-(cyclopropylmethyl)-2-sulfamoylbenzamide
CID 43164725
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide?
The IUPAC name of 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide (CID 129188643) is 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide?
The canonical SMILES for 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide is O=C(NS(=O)(=O)CC1CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide?
The InChIKey is YFOBCVPQHAZNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-10-4-2-1-3-9(10)11(14)13-17(15,16)7-8-5-6-8/h1-4,8H,5-7H2,(H,13,14).
What are the key properties of 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide?
2-bromo-N-(cyclopropylmethylsulfonyl)benzamide has a molecular weight of 318.19 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethylsulfonyl)benzamide is sourced from PubChem (CID 129188643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).