N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide

C22H21ClN2O4S — CID 4830569

IUPACN-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-3-29-19-11-8-17(9-12-19)25-30(27,28)21-14-18(10-13-20(21)23)24-22(26)16-6-4-15(2)5-7-16/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyZPADVSURVSINRV-UHFFFAOYSA-N
MW444.94 g/mol
LogP5.10
Rot. Bonds7

About N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide

N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide (PubChem CID 4830569) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
PubChem CID4830569
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-3-29-19-11-8-17(9-12-19)25-30(27,28)21-14-18(10-13-20(21)23)24-22(26)16-6-4-15(2)5-7-16/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyZPADVSURVSINRV-UHFFFAOYSA-N
XLogP5.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.94
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bay-1797
CID 124125214
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
4-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3465983
2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3968655
2-(2-chloro-5-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125200
2-(2-chlorophenyl)-N-[4-(3-methoxyphenoxy)-3-sulfamoylphenyl]acetamide
CID 124125229
N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-phenylpropanamide
CID 124125230
2-(2-chloro-3-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125238
2-(2-chlorophenyl)-N-(4-phenoxy-3-sulfamoylphenyl)acetamide
CID 124125239
2-(2-chlorophenyl)-N-[4-[4-(oxolan-3-yl)phenoxy]-3-sulfamoylphenyl]acetamide
CID 124125244
2-(2-chloro-6-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125246
N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-(4-chlorophenyl)acetamide
CID 124125268

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide (CID 4830569) is N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2Cl)cc1.
What is the InChIKey of N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The InChIKey is ZPADVSURVSINRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-3-29-19-11-8-17(9-12-19)25-30(27,28)21-14-18(10-13-20(21)23)24-22(26)16-6-4-15(2)5-7-16/h4-14,25H,3H2,1-2H3,(H,24,26).
What are the key properties of N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide has a molecular weight of 444.94 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 4830569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).