N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide

C19H23N3O6S — CID 7948730

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O6S/c1-4-5-12-21(2)29(26,27)16-9-7-15(8-10-16)20-19(23)14-6-11-18(28-3)17(13-14)22(24)25/h6-11,13H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyJIEUPHPFTRIOHW-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.28
Rot. Bonds9

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide (PubChem CID 7948730) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide
PubChem CID7948730
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O6S/c1-4-5-12-21(2)29(26,27)16-9-7-15(8-10-16)20-19(23)14-6-11-18(28-3)17(13-14)22(24)25/h6-11,13H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyJIEUPHPFTRIOHW-UHFFFAOYSA-N
XLogP3.28
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1293951
N-[4-(hexylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 4694490
N-(4-butylphenyl)-4-methoxy-3-nitrobenzamide
CID 3346211
N-[4-(tert-butylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1306926
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
N-[4-[(2S)-butan-2-yl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7303730
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
2-[4-[(4-methoxy-3-nitrobenzoyl)amino]phenyl]acetic acid
CID 891508
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide (CID 7948730) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is JIEUPHPFTRIOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-4-5-12-21(2)29(26,27)16-9-7-15(8-10-16)20-19(23)14-6-11-18(28-3)17(13-14)22(24)25/h6-11,13H,4-5,12H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 421.48 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 7948730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).