N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide

C20H19N3O3S2 — CID 51949206

IUPACN-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C20H19N3O3S2/c24-20(23-12-1-2-19(23)16-9-13-27-14-16)15-3-5-18(6-4-15)28(25,26)22-17-7-10-21-11-8-17/h3-11,13-14,19H,1-2,12H2,(H,21,22)/t19-/m0/s1
InChIKeyMLRNRBUFTDNAEY-IBGZPJMESA-N
MW413.52 g/mol
LogP3.92
Rot. Bonds5

About N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide

N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 51949206) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID51949206
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC NameN-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C20H19N3O3S2/c24-20(23-12-1-2-19(23)16-9-13-27-14-16)15-3-5-18(6-4-15)28(25,26)22-17-7-10-21-11-8-17/h3-11,13-14,19H,1-2,12H2,(H,21,22)/t19-/m0/s1
InChIKeyMLRNRBUFTDNAEY-IBGZPJMESA-N
XLogP3.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-4-yl-4-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 51949204
(4-propan-2-ylsulfonylphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55776937
N-(4-methylphenyl)-4-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide
CID 60556415
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
N-[4-[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 25356577
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 39156898
N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722221
4-methyl-3-nitro-N-[4-(2-pyridin-4-ylazepane-1-carbonyl)phenyl]benzenesulfonamide
CID 55963104

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide (CID 51949206) is N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is MLRNRBUFTDNAEY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19N3O3S2/c24-20(23-12-1-2-19(23)16-9-13-27-14-16)15-3-5-18(6-4-15)28(25,26)22-17-7-10-21-11-8-17/h3-11,13-14,19H,1-2,12H2,(H,21,22)/t19-/m0/s1.
What are the key properties of N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide?
N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 413.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 51949206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).