(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide

C14H19N5O2S — CID 99987115

IUPAC(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C14H19N5O2S/c1-17(2)22(20,21)18-9-8-13(10-18)19-11-14(15-16-19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyFVOCQKLAVUQLQN-CYBMUJFWSA-N
MW321.41 g/mol
LogP1.00
Rot. Bonds4

About (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide

(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide (PubChem CID 99987115) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide
PubChem CID99987115
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C14H19N5O2S/c1-17(2)22(20,21)18-9-8-13(10-18)19-11-14(15-16-19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyFVOCQKLAVUQLQN-CYBMUJFWSA-N
XLogP1.00
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121190795
1-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole
CID 121150232
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149930
1-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
CID 121150194
7,7-dimethyl-1-[[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
CID 121150254
1-[(3S)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
CID 99987062
4-phenyl-1-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 99987096
4-phenyl-1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 86264972
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
CID 121150133
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide (CID 99987115) is (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide?
The InChIKey is FVOCQKLAVUQLQN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-17(2)22(20,21)18-9-8-13(10-18)19-11-14(15-16-19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide?
(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide has a molecular weight of 321.41 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 99987115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).