(3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C14H18F3N3O3S — CID 124846214

IUPAC(3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H18F3N3O3S/c1-13(2)11(14(15,16)17)6-7-20(13)12(21)19-9-4-3-5-10(8-9)24(18,22)23/h3-5,8,11H,6-7H2,1-2H3,(H,19,21)(H2,18,22,23)/t11-/m0/s1
InChIKeyIJLMBYANIHFNPS-NSHDSACASA-N
MW365.38 g/mol
LogP2.53
Rot. Bonds2

About (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

(3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 124846214) has the molecular formula C14H18F3N3O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID124846214
Molecular FormulaC14H18F3N3O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name(3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H18F3N3O3S/c1-13(2)11(14(15,16)17)6-7-20(13)12(21)19-9-4-3-5-10(8-9)24(18,22)23/h3-5,8,11H,6-7H2,1-2H3,(H,19,21)(H2,18,22,23)/t11-/m0/s1
InChIKeyIJLMBYANIHFNPS-NSHDSACASA-N
XLogP2.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 124728461
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
(3S)-2,2-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124852174
2,2-dimethyl-N-[4-(oxetan-3-yloxy)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119045013
(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923074
2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044444
(3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 100675610
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119919395
3-methyl-N-(3-sulfamoylphenyl)oxolane-2-carboxamide
CID 81424664

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 124846214) is (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is IJLMBYANIHFNPS-NSHDSACASA-N. The full InChI is InChI=1S/C14H18F3N3O3S/c1-13(2)11(14(15,16)17)6-7-20(13)12(21)19-9-4-3-5-10(8-9)24(18,22)23/h3-5,8,11H,6-7H2,1-2H3,(H,19,21)(H2,18,22,23)/t11-/m0/s1.
What are the key properties of (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
(3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124846214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).