3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide

C26H25N5O3S — CID 121149959

IUPAC3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(n4cc(-c5ccccc5)nn4)C3)cc2)c1
InChIInChI=1S/C26H25N5O3S/c1-19-6-5-9-24(16-19)35(33,34)28-22-12-10-21(11-13-22)26(32)30-15-14-23(17-30)31-18-25(27-29-31)20-7-3-2-4-8-20/h2-13,16,18,23,28H,14-15,17H2,1H3
InChIKeyHPDGYMTURXPTSN-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.14
Rot. Bonds6

About 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide

3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 121149959) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID121149959
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC Name3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(n4cc(-c5ccccc5)nn4)C3)cc2)c1
InChIInChI=1S/C26H25N5O3S/c1-19-6-5-9-24(16-19)35(33,34)28-22-12-10-21(11-13-22)26(32)30-15-14-23(17-30)31-18-25(27-29-31)20-7-3-2-4-8-20/h2-13,16,18,23,28H,14-15,17H2,1H3
InChIKeyHPDGYMTURXPTSN-UHFFFAOYSA-N
XLogP4.14
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
(4-methoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149874
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
2-(3-methylphenyl)-1-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99986480
1-[1-[4-[(3-methylphenyl)sulfonylamino]benzoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153895
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121150019
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
(6-methoxy-3-pyridinyl)-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 99986952
(3,5-dimethylphenyl)-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757602
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide (CID 121149959) is 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(n4cc(-c5ccccc5)nn4)C3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is HPDGYMTURXPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-19-6-5-9-24(16-19)35(33,34)28-22-12-10-21(11-13-22)26(32)30-15-14-23(17-30)31-18-25(27-29-31)20-7-3-2-4-8-20/h2-13,16,18,23,28H,14-15,17H2,1H3.
What are the key properties of 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 487.59 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 121149959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).