3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide

C21H27ClN2O5S — CID 38207231

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cc1OCC
InChIInChI=1S/C21H27ClN2O5S/c1-6-28-17-11-9-15(13-18(17)29-7-2)23-20(25)14-8-10-16(22)19(12-14)30(26,27)24-21(3,4)5/h8-13,24H,6-7H2,1-5H3,(H,23,25)
InChIKeyLZIQAVPDACFGFG-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.47
Rot. Bonds8

About 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide (PubChem CID 38207231) has the molecular formula C21H27ClN2O5S and a molecular weight of 454.98 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide
PubChem CID38207231
Molecular FormulaC21H27ClN2O5S
Molecular Weight454.98 g/mol
Exact Mass454.13
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cc1OCC
InChIInChI=1S/C21H27ClN2O5S/c1-6-28-17-11-9-15(13-18(17)29-7-2)23-20(25)14-8-10-16(22)19(12-14)30(26,27)24-21(3,4)5/h8-13,24H,6-7H2,1-5H3,(H,23,25)
InChIKeyLZIQAVPDACFGFG-UHFFFAOYSA-N
XLogP4.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43009398
3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 30245415
methyl 3-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]amino]benzoate
CID 2529890
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 46462504
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide
CID 46584819
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide (CID 38207231) is 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cc1OCC.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide?
The InChIKey is LZIQAVPDACFGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O5S/c1-6-28-17-11-9-15(13-18(17)29-7-2)23-20(25)14-8-10-16(22)19(12-14)30(26,27)24-21(3,4)5/h8-13,24H,6-7H2,1-5H3,(H,23,25).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide has a molecular weight of 454.98 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide is sourced from PubChem (CID 38207231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).