3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide

C18H18ClN3O3S — CID 17226748

IUPAC3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1
InChIInChI=1S/C18H18ClN3O3S/c1-2-3-9-21-26(24,25)16-6-4-5-13(10-16)18(23)22-15-8-7-14(12-20)17(19)11-15/h4-8,10-11,21H,2-3,9H2,1H3,(H,22,23)
InChIKeyMSYJAWXRTARWSP-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.54
Rot. Bonds7

About 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide

3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide (PubChem CID 17226748) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide.

Molecular Properties

Compound Name3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide
PubChem CID17226748
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1
InChIInChI=1S/C18H18ClN3O3S/c1-2-3-9-21-26(24,25)16-6-4-5-13(10-16)18(23)22-15-8-7-14(12-20)17(19)11-15/h4-8,10-11,21H,2-3,9H2,1H3,(H,22,23)
InChIKeyMSYJAWXRTARWSP-UHFFFAOYSA-N
XLogP3.54
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
3-(butylsulfamoyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 17226614
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
CID 17226776
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 17226785
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide?
The IUPAC name of 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide (CID 17226748) is 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide.
What is the SMILES notation for 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide?
The canonical SMILES for 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide is CCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1.
What is the InChIKey of 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide?
The InChIKey is MSYJAWXRTARWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-2-3-9-21-26(24,25)16-6-4-5-13(10-16)18(23)22-15-8-7-14(12-20)17(19)11-15/h4-8,10-11,21H,2-3,9H2,1H3,(H,22,23).
What are the key properties of 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide?
3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide has a molecular weight of 391.88 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide is sourced from PubChem (CID 17226748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).