trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide

C14H19BrN2O5S — CID 96514771

IUPACtrans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCOc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C(N)=O)cc1OC
InChIInChI=1S/C14H19BrN2O5S/c1-21-11-6-9(15)13(7-12(11)22-2)23(19,20)17-10-5-3-4-8(10)14(16)18/h6-8,10,17H,3-5H2,1-2H3,(H2,16,18)/t8-,10-/m1/s1
InChIKeyOAUPBNPMZNKETA-PSASIEDQSA-N
MW407.29 g/mol
LogP1.40
Rot. Bonds6

About trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide

trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 96514771) has the molecular formula C14H19BrN2O5S and a molecular weight of 407.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide
PubChem CID96514771
Molecular FormulaC14H19BrN2O5S
Molecular Weight407.29 g/mol
Exact Mass406.02
IUPAC Nametrans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCOc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C(N)=O)cc1OC
InChIInChI=1S/C14H19BrN2O5S/c1-21-11-6-9(15)13(7-12(11)22-2)23(19,20)17-10-5-3-4-8(10)14(16)18/h6-8,10,17H,3-5H2,1-2H3,(H2,16,18)/t8-,10-/m1/s1
InChIKeyOAUPBNPMZNKETA-PSASIEDQSA-N
XLogP1.40
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 124686386
trans-(1S,2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 95789130
2-bromo-N-(2,3-dimethylcyclohexyl)-4,5-dimethoxybenzenesulfonamide
CID 55387058
5-amino-4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxybenzenesulfonamide
CID 107213517
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 43597871
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
2-bromo-4,5-dimethoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982732
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide
CID 84596171
2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71997271
trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001353

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide (CID 96514771) is trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide is COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C(N)=O)cc1OC.
What is the InChIKey of trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is OAUPBNPMZNKETA-PSASIEDQSA-N. The full InChI is InChI=1S/C14H19BrN2O5S/c1-21-11-6-9(15)13(7-12(11)22-2)23(19,20)17-10-5-3-4-8(10)14(16)18/h6-8,10,17H,3-5H2,1-2H3,(H2,16,18)/t8-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 407.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 96514771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).