5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide

C14H21BrN2O3S — CID 81396830

IUPAC5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C14H21BrN2O3S/c1-3-17(10-6-4-5-7-10)21(18,19)14-9-12(16)11(15)8-13(14)20-2/h8-10H,3-7,16H2,1-2H3
InChIKeyKDCOJMRYYCZRQD-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.99
Rot. Bonds5

About 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide

5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide (PubChem CID 81396830) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide
PubChem CID81396830
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C14H21BrN2O3S/c1-3-17(10-6-4-5-7-10)21(18,19)14-9-12(16)11(15)8-13(14)20-2/h8-10H,3-7,16H2,1-2H3
InChIKeyKDCOJMRYYCZRQD-UHFFFAOYSA-N
XLogP2.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
CID 114625120
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxy-4-methylbenzenesulfonamide
CID 102859186
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 48944539
5-amino-4-bromo-N,N-bis(cyanomethyl)-2-methoxybenzenesulfonamide
CID 81413836
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
5-amino-4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxybenzenesulfonamide
CID 107213517
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide (CID 81396830) is 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide is CCN(C1CCCC1)S(=O)(=O)c1cc(N)c(Br)cc1OC.
What is the InChIKey of 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is KDCOJMRYYCZRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-17(10-6-4-5-7-10)21(18,19)14-9-12(16)11(15)8-13(14)20-2/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide?
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 81396830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).