2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide

C18H19BrN4O5S — CID 26446304

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide
SMILESO=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C18H19BrN4O5S/c19-17-8-7-15(29(27,28)22-13-1-2-13)11-16(17)18(24)21-10-9-20-12-3-5-14(6-4-12)23(25)26/h3-8,11,13,20,22H,1-2,9-10H2,(H,21,24)
InChIKeySRASOQCLBIIGBI-UHFFFAOYSA-N
MW483.34 g/mol
LogP2.64
Rot. Bonds9

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide (PubChem CID 26446304) has the molecular formula C18H19BrN4O5S and a molecular weight of 483.34 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide
PubChem CID26446304
Molecular FormulaC18H19BrN4O5S
Molecular Weight483.34 g/mol
Exact Mass482.03
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide
SMILESO=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C18H19BrN4O5S/c19-17-8-7-15(29(27,28)22-13-1-2-13)11-16(17)18(24)21-10-9-20-12-3-5-14(6-4-12)23(25)26/h3-8,11,13,20,22H,1-2,9-10H2,(H,21,24)
InChIKeySRASOQCLBIIGBI-UHFFFAOYSA-N
XLogP2.64
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.34
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 26444801
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396976
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
2-bromo-N-[3-(4-nitroanilino)propyl]benzamide
CID 2883203
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 17484041
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625
2-bromo-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971622
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 34274025

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide (CID 26446304) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide is O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide?
The InChIKey is SRASOQCLBIIGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O5S/c19-17-8-7-15(29(27,28)22-13-1-2-13)11-16(17)18(24)21-10-9-20-12-3-5-14(6-4-12)23(25)26/h3-8,11,13,20,22H,1-2,9-10H2,(H,21,24).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide has a molecular weight of 483.34 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide is sourced from PubChem (CID 26446304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).