2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide

C20H18Cl2N2O4S2 — CID 32833050

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(Cl)s3)c2)cc1
InChIInChI=1S/C20H18Cl2N2O4S2/c1-2-28-14-5-3-13(4-6-14)24-30(26,27)16-8-9-18(21)17(11-16)20(25)23-12-15-7-10-19(22)29-15/h3-11,24H,2,12H2,1H3,(H,23,25)
InChIKeyXRFIGIWKADHBCR-UHFFFAOYSA-N
MW485.41 g/mol
LogP5.18
Rot. Bonds8

About 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 32833050) has the molecular formula C20H18Cl2N2O4S2 and a molecular weight of 485.41 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID32833050
Molecular FormulaC20H18Cl2N2O4S2
Molecular Weight485.41 g/mol
Exact Mass484.01
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(Cl)s3)c2)cc1
InChIInChI=1S/C20H18Cl2N2O4S2/c1-2-28-14-5-3-13(4-6-14)24-30(26,27)16-8-9-18(21)17(11-16)20(25)23-12-15-7-10-19(22)29-15/h3-11,24H,2,12H2,1H3,(H,23,25)
InChIKeyXRFIGIWKADHBCR-UHFFFAOYSA-N
XLogP5.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.41
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-nitrophenyl)methyl]benzamide
CID 55946422
2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671640
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55947275
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30584862
2-chloro-N,N-bis(2-cyanoethyl)-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55370337
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
4-chloro-3-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 43005311
4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454
2-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-5-nitrobenzamide
CID 17147139
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
CID 86866408
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 32833050) is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(Cl)s3)c2)cc1.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is XRFIGIWKADHBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4S2/c1-2-28-14-5-3-13(4-6-14)24-30(26,27)16-8-9-18(21)17(11-16)20(25)23-12-15-7-10-19(22)29-15/h3-11,24H,2,12H2,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 485.41 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 32833050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).