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

C23H21BrN2O3S — CID 46385831

IUPACN-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C23H21BrN2O3S/c24-20-9-11-21(12-10-20)25-23(27)19-5-3-17(4-6-19)18-7-13-22(14-8-18)30(28,29)26-15-1-2-16-26/h3-14H,1-2,15-16H2,(H,25,27)
InChIKeyBTJQTSIHTGAJBR-UHFFFAOYSA-N
MW485.40 g/mol
LogP5.15
Rot. Bonds5

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

N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 46385831) has the molecular formula C23H21BrN2O3S and a molecular weight of 485.40 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID46385831
Molecular FormulaC23H21BrN2O3S
Molecular Weight485.40 g/mol
Exact Mass484.05
IUPAC NameN-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C23H21BrN2O3S/c24-20-9-11-21(12-10-20)25-23(27)19-5-3-17(4-6-19)18-7-13-22(14-8-18)30(28,29)26-15-1-2-16-26/h3-14H,1-2,15-16H2,(H,25,27)
InChIKeyBTJQTSIHTGAJBR-UHFFFAOYSA-N
XLogP5.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
N-(4-morpholin-4-ylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385825
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 46385831) is N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is BTJQTSIHTGAJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3S/c24-20-9-11-21(12-10-20)25-23(27)19-5-3-17(4-6-19)18-7-13-22(14-8-18)30(28,29)26-15-1-2-16-26/h3-14H,1-2,15-16H2,(H,25,27).
What are the key properties of N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 485.40 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 46385831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).