4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide

C20H20ClN3O3S — CID 71704555

IUPAC4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide
SMILESCn1ccc2c(NC(=O)c3ccc(Cl)c(N4CCCCS4(=O)=O)c3)cccc21
InChIInChI=1S/C20H20ClN3O3S/c1-23-11-9-15-17(5-4-6-18(15)23)22-20(25)14-7-8-16(21)19(13-14)24-10-2-3-12-28(24,26)27/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,25)
InChIKeyPPESKOLGKHDYAN-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.01
Rot. Bonds3

About 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide

4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide (PubChem CID 71704555) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide
PubChem CID71704555
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide
SMILESCn1ccc2c(NC(=O)c3ccc(Cl)c(N4CCCCS4(=O)=O)c3)cccc21
InChIInChI=1S/C20H20ClN3O3S/c1-23-11-9-15-17(5-4-6-18(15)23)22-20(25)14-7-8-16(21)19(13-14)24-10-2-3-12-28(24,26)27/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,25)
InChIKeyPPESKOLGKHDYAN-UHFFFAOYSA-N
XLogP4.01
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516991
4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516998
4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516982
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618019
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide
CID 7686148
N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7499082
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295560
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 71827935
N-(1-methylindol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 52900916
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 7659014
2-[[4-chloro-3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]ethyl-diethylazanium
CID 7686137
N-(2-chlorophenyl)-1-methylindole-5-carboxamide
CID 112520448

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide?
The IUPAC name of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide (CID 71704555) is 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide?
The canonical SMILES for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide is Cn1ccc2c(NC(=O)c3ccc(Cl)c(N4CCCCS4(=O)=O)c3)cccc21.
What is the InChIKey of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide?
The InChIKey is PPESKOLGKHDYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-23-11-9-15-17(5-4-6-18(15)23)22-20(25)14-7-8-16(21)19(13-14)24-10-2-3-12-28(24,26)27/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,25).
What are the key properties of 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide?
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide has a molecular weight of 417.92 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide is sourced from PubChem (CID 71704555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).