5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide

C18H21BrN2O3S — CID 55852739

IUPAC5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)CCCCc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O3S/c19-16-10-8-14(9-11-16)4-1-2-7-18(22)21-13-15-5-3-6-17(12-15)25(20,23)24/h3,5-6,8-12H,1-2,4,7,13H2,(H,21,22)(H2,20,23,24)
InChIKeyVNBGKZOLDLMBGR-UHFFFAOYSA-N
MW425.35 g/mol
LogP3.13
Rot. Bonds8

About 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide

5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide (PubChem CID 55852739) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide
PubChem CID55852739
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)CCCCc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O3S/c19-16-10-8-14(9-11-16)4-1-2-7-18(22)21-13-15-5-3-6-17(12-15)25(20,23)24/h3,5-6,8-12H,1-2,4,7,13H2,(H,21,22)(H2,20,23,24)
InChIKeyVNBGKZOLDLMBGR-UHFFFAOYSA-N
XLogP3.13
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 166221897
2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 52681070
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide
CID 32563567
3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 55641528
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
2-[2-oxo-2-[(3-sulfamoylphenyl)methylamino]ethyl]sulfanylacetic acid
CID 104569122
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide
CID 79209822
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide (CID 55852739) is 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide is NS(=O)(=O)c1cccc(CNC(=O)CCCCc2ccc(Br)cc2)c1.
What is the InChIKey of 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide?
The InChIKey is VNBGKZOLDLMBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c19-16-10-8-14(9-11-16)4-1-2-7-18(22)21-13-15-5-3-6-17(12-15)25(20,23)24/h3,5-6,8-12H,1-2,4,7,13H2,(H,21,22)(H2,20,23,24).
What are the key properties of 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide?
5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide has a molecular weight of 425.35 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide is sourced from PubChem (CID 55852739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).