5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide

C14H19BrN2O3S — CID 107907884

IUPAC5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H19BrN2O3S/c15-9-2-1-6-14(18)16-12-4-3-5-13(10-12)21(19,20)17-11-7-8-11/h3-5,10-11,17H,1-2,6-9H2,(H,16,18)
InChIKeyRFDIJELPUNTWFO-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.63
Rot. Bonds8

About 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide

5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide (PubChem CID 107907884) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
PubChem CID107907884
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H19BrN2O3S/c15-9-2-1-6-14(18)16-12-4-3-5-13(10-12)21(19,20)17-11-7-8-11/h3-5,10-11,17H,1-2,6-9H2,(H,16,18)
InChIKeyRFDIJELPUNTWFO-UHFFFAOYSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 38140750
4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide
CID 24582386
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564
N-[3-(cyclopropylsulfamoyl)phenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55477994
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 24646324
3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 24582409
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide (CID 107907884) is 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide is O=C(CCCCBr)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide?
The InChIKey is RFDIJELPUNTWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c15-9-2-1-6-14(18)16-12-4-3-5-13(10-12)21(19,20)17-11-7-8-11/h3-5,10-11,17H,1-2,6-9H2,(H,16,18).
What are the key properties of 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide?
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide has a molecular weight of 375.29 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 107907884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).