N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 8961050

IUPACN-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-3-6-17-7-11-19(12-8-17)22-21(24)18-9-13-20(14-10-18)27(25,26)23-15-4-5-16-23/h7-14H,2-6,15-16H2,1H3,(H,22,24)
InChIKeyLNMUUWKXUDGODV-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.07
Rot. Bonds7

About N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 8961050) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID8961050
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-3-6-17-7-11-19(12-8-17)22-21(24)18-9-13-20(14-10-18)27(25,26)23-15-4-5-16-23/h7-14H,2-6,15-16H2,1H3,(H,22,24)
InChIKeyLNMUUWKXUDGODV-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
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
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
N-[4-[(2R)-butan-2-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 7935734
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 8961050) is N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is CCCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LNMUUWKXUDGODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-3-6-17-7-11-19(12-8-17)22-21(24)18-9-13-20(14-10-18)27(25,26)23-15-4-5-16-23/h7-14H,2-6,15-16H2,1H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8961050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).