3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide

C21H24ClN3O4S — CID 46584819

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1Cl
InChIInChI=1S/C21H24ClN3O4S/c1-21(2,3)25-30(28,29)18-11-14(9-10-17(18)22)20(27)24-16-6-4-5-15(12-16)23-19(26)13-7-8-13/h4-6,9-13,25H,7-8H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNGFLSGLIXQKTBV-UHFFFAOYSA-N
MW449.96 g/mol
LogP4.02
Rot. Bonds6

About 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide (PubChem CID 46584819) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide
PubChem CID46584819
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1Cl
InChIInChI=1S/C21H24ClN3O4S/c1-21(2,3)25-30(28,29)18-11-14(9-10-17(18)22)20(27)24-16-6-4-5-15(12-16)23-19(26)13-7-8-13/h4-6,9-13,25H,7-8H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNGFLSGLIXQKTBV-UHFFFAOYSA-N
XLogP4.02
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide (CID 46584819) is 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1Cl.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide?
The InChIKey is NGFLSGLIXQKTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-21(2,3)25-30(28,29)18-11-14(9-10-17(18)22)20(27)24-16-6-4-5-15(12-16)23-19(26)13-7-8-13/h4-6,9-13,25H,7-8H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide has a molecular weight of 449.96 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide is sourced from PubChem (CID 46584819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).