N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

C15H21ClN2O3S — CID 3154065

IUPACN-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-3-11(2)17-15(19)14-5-4-10-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyHBOSBBMQSRTJCP-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.41
Rot. Bonds5

About N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 3154065) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID3154065
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-3-11(2)17-15(19)14-5-4-10-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyHBOSBBMQSRTJCP-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 3154065) is N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is CCC(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is HBOSBBMQSRTJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-3-11(2)17-15(19)14-5-4-10-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3154065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).