N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide

C21H19ClN2O4S — CID 984406

IUPACN-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C21H19ClN2O4S/c1-28-19-6-3-7-20(13-19)29(26,27)23-14-15-8-10-16(11-9-15)21(25)24-18-5-2-4-17(22)12-18/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyPNTADTZUHJBPPW-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.08
Rot. Bonds7

About N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide

N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide (PubChem CID 984406) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide
PubChem CID984406
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC NameN-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C21H19ClN2O4S/c1-28-19-6-3-7-20(13-19)29(26,27)23-14-15-8-10-16(11-9-15)21(25)24-18-5-2-4-17(22)12-18/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyPNTADTZUHJBPPW-UHFFFAOYSA-N
XLogP4.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 2472408
4-chloro-N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 16277775
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
2-chloro-N-(3-{N-[(4-methoxyphenyl)sulfonyl]ethanehydrazonoyl}phenyl)benzamide
CID 5431769
N-(3,4-dichlorophenyl)-4-({[(3-methoxyphenyl)sulfonyl]amino}methyl)benzamide
CID 984403
3-methoxy-N-(4-(4-phenylpiperazine-1-carbonyl)benzyl)benzenesulfonamide
CID 984423
3-methoxy-N-(4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}benzyl)benzenesulfonamide
CID 984429
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(isopropylamino)sulfonyl]phenyl}propanamide
CID 1006992
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1007780
2-chloro-5-[(1,1-dioxidothiomorpholin-4-yl)sulfonyl]-N-(4-methoxyphenyl)benzamide
CID 1217079
methyl 4-chloro-3-({N-[(4-methoxyphenyl)sulfonyl]-N-phenylglycyl}amino)benzoate
CID 1297421

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide (CID 984406) is N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide is COc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is PNTADTZUHJBPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-28-19-6-3-7-20(13-19)29(26,27)23-14-15-8-10-16(11-9-15)21(25)24-18-5-2-4-17(22)12-18/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide?
N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 430.91 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[[(3-methoxyphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 984406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).