N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide

C13H17ClN2O2S — CID 122566643

IUPACN-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1(c2ccccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C13H17ClN2O2S/c14-12-6-2-1-5-11(12)13(7-8-13)15-19(17,18)16-9-3-4-10-16/h1-2,5-6,15H,3-4,7-10H2
InChIKeyNSDYMKXDYYNJRX-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.26
Rot. Bonds4

About N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide

N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide (PubChem CID 122566643) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide
PubChem CID122566643
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1(c2ccccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C13H17ClN2O2S/c14-12-6-2-1-5-11(12)13(7-8-13)15-19(17,18)16-9-3-4-10-16/h1-2,5-6,15H,3-4,7-10H2
InChIKeyNSDYMKXDYYNJRX-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide (CID 122566643) is N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide is O=S(=O)(NC1(c2ccccc2Cl)CC1)N1CCCC1.
What is the InChIKey of N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide?
The InChIKey is NSDYMKXDYYNJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-12-6-2-1-5-11(12)13(7-8-13)15-19(17,18)16-9-3-4-10-16/h1-2,5-6,15H,3-4,7-10H2.
What are the key properties of N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide?
N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide has a molecular weight of 300.81 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 122566643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).