3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C19H21N3O2S — CID 47006104

IUPAC3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C19H21N3O2S/c20-14-16-7-6-10-18(13-16)25(23,24)21-15-19(22-11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,21H,4-5,11-12,15H2
InChIKeyCPCQIRHHKRZFRB-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.67
Rot. Bonds6

About 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide

3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 47006104) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID47006104
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C19H21N3O2S/c20-14-16-7-6-10-18(13-16)25(23,24)21-15-19(22-11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,21H,4-5,11-12,15H2
InChIKeyCPCQIRHHKRZFRB-UHFFFAOYSA-N
XLogP2.67
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060484
2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110357461
N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344578
3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 26542199
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344402
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
4-cyano-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169277
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
4-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 134017270
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 47006104) is 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCC(c2ccccc2)N2CCCC2)c1.
What is the InChIKey of 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is CPCQIRHHKRZFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c20-14-16-7-6-10-18(13-16)25(23,24)21-15-19(22-11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,21H,4-5,11-12,15H2.
What are the key properties of 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47006104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).