N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide

C19H23ClN2O5S — CID 27992662

IUPACN-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C19H23ClN2O5S/c1-4-5-9-21-28(24,25)15-8-6-7-14(12-15)22-19(23)13-10-16(20)18(27-3)17(11-13)26-2/h6-8,10-12,21H,4-5,9H2,1-3H3,(H,22,23)
InChIKeyKBKVYMIMECQCME-UHFFFAOYSA-N
MW426.92 g/mol
LogP3.69
Rot. Bonds9

About N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide

N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide (PubChem CID 27992662) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
PubChem CID27992662
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C19H23ClN2O5S/c1-4-5-9-21-28(24,25)15-8-6-7-14(12-15)22-19(23)13-10-16(20)18(27-3)17(11-13)26-2/h6-8,10-12,21H,4-5,9H2,1-3H3,(H,22,23)
InChIKeyKBKVYMIMECQCME-UHFFFAOYSA-N
XLogP3.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 24512899
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24513463
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
CID 4983601
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide
CID 17226748

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide (CID 27992662) is N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide is CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide?
The InChIKey is KBKVYMIMECQCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-4-5-9-21-28(24,25)15-8-6-7-14(12-15)22-19(23)13-10-16(20)18(27-3)17(11-13)26-2/h6-8,10-12,21H,4-5,9H2,1-3H3,(H,22,23).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide?
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide has a molecular weight of 426.92 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide is sourced from PubChem (CID 27992662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).