3-bromo-N-cyclopropylsulfonylbenzamide

C10H10BrNO3S — CID 137332040

IUPAC3-bromo-N-cyclopropylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO3S/c11-8-3-1-2-7(6-8)10(13)12-16(14,15)9-4-5-9/h1-3,6,9H,4-5H2,(H,12,13)
InChIKeyAVCUNBLPPMXYCB-UHFFFAOYSA-N
MW304.17 g/mol
LogP1.67
Rot. Bonds3

About 3-bromo-N-cyclopropylsulfonylbenzamide

3-bromo-N-cyclopropylsulfonylbenzamide (PubChem CID 137332040) has the molecular formula C10H10BrNO3S and a molecular weight of 304.17 g/mol. Its IUPAC name is 3-bromo-N-cyclopropylsulfonylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropylsulfonylbenzamide
PubChem CID137332040
Molecular FormulaC10H10BrNO3S
Molecular Weight304.17 g/mol
Exact Mass302.96
IUPAC Name3-bromo-N-cyclopropylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO3S/c11-8-3-1-2-7(6-8)10(13)12-16(14,15)9-4-5-9/h1-3,6,9H,4-5H2,(H,12,13)
InChIKeyAVCUNBLPPMXYCB-UHFFFAOYSA-N
XLogP1.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
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1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
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N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-bromobenzamide
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(3R)-3-(3-bromophenyl)-3-(cyclopropylsulfonylamino)propanoic acid
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3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
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3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
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3-bromo-N-(2-cyclohexylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropylsulfonylbenzamide?
The IUPAC name of 3-bromo-N-cyclopropylsulfonylbenzamide (CID 137332040) is 3-bromo-N-cyclopropylsulfonylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopropylsulfonylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopropylsulfonylbenzamide is O=C(NS(=O)(=O)C1CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-cyclopropylsulfonylbenzamide?
The InChIKey is AVCUNBLPPMXYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3S/c11-8-3-1-2-7(6-8)10(13)12-16(14,15)9-4-5-9/h1-3,6,9H,4-5H2,(H,12,13).
What are the key properties of 3-bromo-N-cyclopropylsulfonylbenzamide?
3-bromo-N-cyclopropylsulfonylbenzamide has a molecular weight of 304.17 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropylsulfonylbenzamide is sourced from PubChem (CID 137332040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).