1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide

C15H23BrN2O2S — CID 70276792

IUPAC1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide
SMILESC[C@@]1(CCCNS(=O)(=O)Cc2ccc(Br)cc2)CCCN1
InChIInChI=1S/C15H23BrN2O2S/c1-15(8-2-10-17-15)9-3-11-18-21(19,20)12-13-4-6-14(16)7-5-13/h4-7,17-18H,2-3,8-12H2,1H3/t15-/m0/s1
InChIKeyLJNXYQGVMSUDNV-HNNXBMFYSA-N
MW375.33 g/mol
LogP2.79
Rot. Bonds7

About 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide

1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide (PubChem CID 70276792) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide
PubChem CID70276792
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide
SMILESC[C@@]1(CCCNS(=O)(=O)Cc2ccc(Br)cc2)CCCN1
InChIInChI=1S/C15H23BrN2O2S/c1-15(8-2-10-17-15)9-3-11-18-21(19,20)12-13-4-6-14(16)7-5-13/h4-7,17-18H,2-3,8-12H2,1H3/t15-/m0/s1
InChIKeyLJNXYQGVMSUDNV-HNNXBMFYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide (CID 70276792) is 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide is C[C@@]1(CCCNS(=O)(=O)Cc2ccc(Br)cc2)CCCN1.
What is the InChIKey of 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide?
The InChIKey is LJNXYQGVMSUDNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-15(8-2-10-17-15)9-3-11-18-21(19,20)12-13-4-6-14(16)7-5-13/h4-7,17-18H,2-3,8-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide?
1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[3-[(2S)-2-methylpyrrolidin-2-yl]propyl]methanesulfonamide is sourced from PubChem (CID 70276792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).