1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide

C17H16BrNO3S — CID 33159530

IUPAC1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2(c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C17H16BrNO3S/c1-23(21,22)15-4-2-3-14(11-15)19-16(20)17(9-10-17)12-5-7-13(18)8-6-12/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyWFLAQIKGYHZRIR-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 33159530) has the molecular formula C17H16BrNO3S and a molecular weight of 394.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID33159530
Molecular FormulaC17H16BrNO3S
Molecular Weight394.29 g/mol
Exact Mass393.00
IUPAC Name1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2(c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C17H16BrNO3S/c1-23(21,22)15-4-2-3-14(11-15)19-16(20)17(9-10-17)12-5-7-13(18)8-6-12/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyWFLAQIKGYHZRIR-UHFFFAOYSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
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1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
4-(4-bromophenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
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N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide
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(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
1-(3-acetylphenyl)sulfonyl-N-[3-(4-bromophenyl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 166353400
N-[(4-bromophenyl)methyl]-3-methylsulfonylaniline
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2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
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N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
CID 39932989
2-bromo-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 169002636

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide (CID 33159530) is 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide is CS(=O)(=O)c1cccc(NC(=O)C2(c3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is WFLAQIKGYHZRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3S/c1-23(21,22)15-4-2-3-14(11-15)19-16(20)17(9-10-17)12-5-7-13(18)8-6-12/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 394.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 33159530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).