N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C19H21ClN2O3S — CID 17411385

IUPACN-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22-13-5-8-17(22)19(23)21-18(14-6-3-2-4-7-14)15-9-11-16(20)12-10-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3,(H,21,23)
InChIKeyBGUKJTTZTWXSBK-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.97
Rot. Bonds5

About N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 17411385) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID17411385
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22-13-5-8-17(22)19(23)21-18(14-6-3-2-4-7-14)15-9-11-16(20)12-10-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3,(H,21,23)
InChIKeyBGUKJTTZTWXSBK-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 17411385) is N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is BGUKJTTZTWXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-26(24,25)22-13-5-8-17(22)19(23)21-18(14-6-3-2-4-7-14)15-9-11-16(20)12-10-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 17411385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).