N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide

C14H20BrNO2S — CID 80686401

IUPACN-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC1CCCC1Br)c1ccccc1
InChIInChI=1S/C14H20BrNO2S/c1-11(12-6-3-2-4-7-12)10-19(17,18)16-14-9-5-8-13(14)15/h2-4,6-7,11,13-14,16H,5,8-10H2,1H3
InChIKeyAHQIVRCSUHTFQU-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.03
Rot. Bonds5

About N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide

N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide (PubChem CID 80686401) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide
PubChem CID80686401
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC1CCCC1Br)c1ccccc1
InChIInChI=1S/C14H20BrNO2S/c1-11(12-6-3-2-4-7-12)10-19(17,18)16-14-9-5-8-13(14)15/h2-4,6-7,11,13-14,16H,5,8-10H2,1H3
InChIKeyAHQIVRCSUHTFQU-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide
CID 80685896
N-[(3-bromocyclohexyl)methyl]-2-phenylpropane-1-sulfonamide
CID 106135853
2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide
CID 104982520
N-(2-bromocyclopentyl)propane-1-sulfonamide
CID 80661645
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968
2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 80686709
N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 80662740
N-(5-methylpiperidin-3-yl)-2-phenylpropane-1-sulfonamide
CID 107585332
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide (CID 80686401) is N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NC1CCCC1Br)c1ccccc1.
What is the InChIKey of N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is AHQIVRCSUHTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-11(12-6-3-2-4-7-12)10-19(17,18)16-14-9-5-8-13(14)15/h2-4,6-7,11,13-14,16H,5,8-10H2,1H3.
What are the key properties of N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide?
N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).