N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide

C23H28N4O3S — CID 52523659

IUPACN,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1
InChIInChI=1S/C23H28N4O3S/c1-4-26(5-2)31(29,30)18-14-12-17(13-15-18)23(28)27-16-8-11-21(27)22-24-19-9-6-7-10-20(19)25(22)3/h6-7,9-10,12-15,21H,4-5,8,11,16H2,1-3H3/t21-/m0/s1
InChIKeyLRRFFCKKGFKDBE-NRFANRHFSA-N
MW440.57 g/mol
LogP3.58
Rot. Bonds6

About N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide

N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 52523659) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID52523659
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1
InChIInChI=1S/C23H28N4O3S/c1-4-26(5-2)31(29,30)18-14-12-17(13-15-18)23(28)27-16-8-11-21(27)22-24-19-9-6-7-10-20(19)25(22)3/h6-7,9-10,12-15,21H,4-5,8,11,16H2,1-3H3/t21-/m0/s1
InChIKeyLRRFFCKKGFKDBE-NRFANRHFSA-N
XLogP3.58
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide (CID 52523659) is N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1.
What is the InChIKey of N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is LRRFFCKKGFKDBE-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-26(5-2)31(29,30)18-14-12-17(13-15-18)23(28)27-16-8-11-21(27)22-24-19-9-6-7-10-20(19)25(22)3/h6-7,9-10,12-15,21H,4-5,8,11,16H2,1-3H3/t21-/m0/s1.
What are the key properties of N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 440.57 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 52523659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).