5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide

C19H25BrN2O2S2 — CID 11979204

IUPAC5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
SMILESC[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C19H25BrN2O2S2/c1-14(12-15-6-2-3-7-15)21-13-16-8-4-5-9-17(16)22-26(23,24)19-11-10-18(20)25-19/h4-5,8-11,14-15,21-22H,2-3,6-7,12-13H2,1H3/t14-/m0/s1
InChIKeyFCPPMHKHKVDGLE-AWEZNQCLSA-N
MW457.46 g/mol
LogP5.37
Rot. Bonds8

About 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide

5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide (PubChem CID 11979204) has the molecular formula C19H25BrN2O2S2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
PubChem CID11979204
Molecular FormulaC19H25BrN2O2S2
Molecular Weight457.46 g/mol
Exact Mass456.05
IUPAC Name5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
SMILESC[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C19H25BrN2O2S2/c1-14(12-15-6-2-3-7-15)21-13-16-8-4-5-9-17(16)22-26(23,24)19-11-10-18(20)25-19/h4-5,8-11,14-15,21-22H,2-3,6-7,12-13H2,1H3/t14-/m0/s1
InChIKeyFCPPMHKHKVDGLE-AWEZNQCLSA-N
XLogP5.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.46
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide (CID 11979204) is 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide is C[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is FCPPMHKHKVDGLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25BrN2O2S2/c1-14(12-15-6-2-3-7-15)21-13-16-8-4-5-9-17(16)22-26(23,24)19-11-10-18(20)25-19/h4-5,8-11,14-15,21-22H,2-3,6-7,12-13H2,1H3/t14-/m0/s1.
What are the key properties of 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide?
5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 457.46 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 11979204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).