N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C25H23N5O3S — CID 3355867

IUPACN-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H23N5O3S/c31-25(20-8-14-23(15-9-20)34(32,33)29-16-4-5-17-29)27-21-10-12-22(13-11-21)30-24(18-26-28-30)19-6-2-1-3-7-19/h1-3,6-15,18H,4-5,16-17H2,(H,27,31)
InChIKeyTWJBXWKIYFFYAV-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.97
Rot. Bonds6

About N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 3355867) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID3355867
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H23N5O3S/c31-25(20-8-14-23(15-9-20)34(32,33)29-16-4-5-17-29)27-21-10-12-22(13-11-21)30-24(18-26-28-30)19-6-2-1-3-7-19/h1-3,6-15,18H,4-5,16-17H2,(H,27,31)
InChIKeyTWJBXWKIYFFYAV-UHFFFAOYSA-N
XLogP3.97
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4172772
1,1-Dioxo-6-(4-phenyltriazol-1-yl)-1,2-benzothiazol-3-one
CID 90654823
6-[4-(3-Methylphenyl)triazol-1-yl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 90654824
N-[2-(4-phenyltriazol-1-yl)phenyl]benzamide
CID 145976004
3-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 148291912
N-benzyl-4-(phenylsulfamoyl)-N-[[1-(pyridin-4-ylmethyl)triazol-4-yl]methyl]benzamide
CID 168279052
N-benzyl-N-[(1-benzyltriazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 168280187
N-hydroxy-3-phenyl-2-[[4-[1-(4-phenylphenyl)triazol-4-yl]phenyl]sulfonylamino]propanamide
CID 168281663
N-benzyl-N-[2-(1-benzyltriazol-4-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 168292807
3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4080608
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2323451
N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]-4-(piperidine-1-sulfonyl)benzamide
CID 5109873

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 3355867) is N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is TWJBXWKIYFFYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c31-25(20-8-14-23(15-9-20)34(32,33)29-16-4-5-17-29)27-21-10-12-22(13-11-21)30-24(18-26-28-30)19-6-2-1-3-7-19/h1-3,6-15,18H,4-5,16-17H2,(H,27,31).
What are the key properties of N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 473.56 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-phenyltriazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3355867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).