N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

C17H23N3O2S — CID 42219306

IUPACN-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCn1cccc1[C@H](CNS(=O)(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C17H23N3O2S/c1-19-11-7-10-16(19)17(20-12-5-6-13-20)14-18-23(21,22)15-8-3-2-4-9-15/h2-4,7-11,17-18H,5-6,12-14H2,1H3/t17-/m0/s1
InChIKeyQFKYUXWLGBBTRI-KRWDZBQOSA-N
MW333.46 g/mol
LogP2.14
Rot. Bonds6

About N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (PubChem CID 42219306) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
PubChem CID42219306
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCn1cccc1[C@H](CNS(=O)(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C17H23N3O2S/c1-19-11-7-10-16(19)17(20-12-5-6-13-20)14-18-23(21,22)15-8-3-2-4-9-15/h2-4,7-11,17-18H,5-6,12-14H2,1H3/t17-/m0/s1
InChIKeyQFKYUXWLGBBTRI-KRWDZBQOSA-N
XLogP2.14
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (CID 42219306) is N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is Cn1cccc1[C@H](CNS(=O)(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The InChIKey is QFKYUXWLGBBTRI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-19-11-7-10-16(19)17(20-12-5-6-13-20)14-18-23(21,22)15-8-3-2-4-9-15/h2-4,7-11,17-18H,5-6,12-14H2,1H3/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 42219306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).