4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C17H17BrN2O3S — CID 3379175

IUPAC4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c18-14-5-3-13(4-6-14)17(21)19-15-7-9-16(10-8-15)24(22,23)20-11-1-2-12-20/h3-10H,1-2,11-12H2,(H,19,21)
InChIKeyBSOBVDGCNKDBMK-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.49
Rot. Bonds4

About 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 3379175) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID3379175
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c18-14-5-3-13(4-6-14)17(21)19-15-7-9-16(10-8-15)24(22,23)20-11-1-2-12-20/h3-10H,1-2,11-12H2,(H,19,21)
InChIKeyBSOBVDGCNKDBMK-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1039737
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N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
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CID 126508113
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
Sulfonamide deriv., 7f
CID 44520902
4-[3-(4-Bromo-phenyl)-3-oxo-propenylamino]-benzenesulfonamide
CID 2185394
2-(2-bromophenyl)-N-(4-sulfamoylphenyl)acetamide
CID 71764398
2-(2-bromophenyl)-N-(2-fluoro-4-sulfamoylphenyl)acetamide
CID 71764401
3-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168284154

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 3379175) is 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is BSOBVDGCNKDBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c18-14-5-3-13(4-6-14)17(21)19-15-7-9-16(10-8-15)24(22,23)20-11-1-2-12-20/h3-10H,1-2,11-12H2,(H,19,21).
What are the key properties of 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 409.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3379175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).