N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C17H17BrN2O3S — CID 1250095

IUPACN-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H17BrN2O3S/c18-14-6-8-15(9-7-14)19-17(21)13-4-3-5-16(12-13)24(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyNXJYWJRBTLYQKY-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.49
Rot. Bonds4

About N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1250095) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1250095
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC NameN-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H17BrN2O3S/c18-14-6-8-15(9-7-14)19-17(21)13-4-3-5-16(12-13)24(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyNXJYWJRBTLYQKY-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

3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
3-(azepan-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 4793590
propan-2-yl 4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 7733570
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
N-[(E)-(4-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907579
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
N-(4-butan-2-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226901

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1250095) is N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is NXJYWJRBTLYQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c18-14-6-8-15(9-7-14)19-17(21)13-4-3-5-16(12-13)24(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide 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 N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1250095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).