N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide

C19H21ClN2O3S — CID 3492355

IUPACN-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22(14-16-6-2-3-7-18(16)20)17-10-8-15(9-11-17)19(23)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3
InChIKeyMPMWTCSXQYVLJR-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.54
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide

N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 3492355) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID3492355
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22(14-16-6-2-3-7-18(16)20)17-10-8-15(9-11-17)19(23)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3
InChIKeyMPMWTCSXQYVLJR-UHFFFAOYSA-N
XLogP3.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide (CID 3492355) is N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is MPMWTCSXQYVLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-26(24,25)22(14-16-6-2-3-7-18(16)20)17-10-8-15(9-11-17)19(23)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 3492355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).