N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide

C20H23ClN2O4S — CID 89323080

IUPACN-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide
SMILESC=C(NS(=O)(=O)c1ccc(C(=O)NC(C)CC)cc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O4S/c1-5-13(2)22-20(24)15-6-9-17(10-7-15)28(25,26)23-14(3)18-12-16(21)8-11-19(18)27-4/h6-13,23H,3,5H2,1-2,4H3,(H,22,24)
InChIKeyJWRXFRGBVABMSI-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.83
Rot. Bonds8

About N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide

N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide (PubChem CID 89323080) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide
PubChem CID89323080
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide
SMILESC=C(NS(=O)(=O)c1ccc(C(=O)NC(C)CC)cc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O4S/c1-5-13(2)22-20(24)15-6-9-17(10-7-15)28(25,26)23-14(3)18-12-16(21)8-11-19(18)27-4/h6-13,23H,3,5H2,1-2,4H3,(H,22,24)
InChIKeyJWRXFRGBVABMSI-UHFFFAOYSA-N
XLogP3.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
CID 109059069
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide
CID 8615539
4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24636094
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
N-butan-2-yl-4-[2-(2-methoxyphenyl)ethylsulfamoyl]benzamide
CID 109059025
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide (CID 89323080) is N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide is C=C(NS(=O)(=O)c1ccc(C(=O)NC(C)CC)cc1)c1cc(Cl)ccc1OC.
What is the InChIKey of N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide?
The InChIKey is JWRXFRGBVABMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-5-13(2)22-20(24)15-6-9-17(10-7-15)28(25,26)23-14(3)18-12-16(21)8-11-19(18)27-4/h6-13,23H,3,5H2,1-2,4H3,(H,22,24).
What are the key properties of N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide?
N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide has a molecular weight of 422.93 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide is sourced from PubChem (CID 89323080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).