N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C19H25N3O5S2 — CID 55711315

IUPACN-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C19H25N3O5S2/c1-14(2)22(3)29(26,27)17-10-7-9-15(12-17)19(23)20-13-16-8-5-6-11-18(16)21-28(4,24)25/h5-12,14,21H,13H2,1-4H3,(H,20,23)
InChIKeyRZLXUICPNXTLQK-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.02
Rot. Bonds8

About N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55711315) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55711315
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC NameN-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C19H25N3O5S2/c1-14(2)22(3)29(26,27)17-10-7-9-15(12-17)19(23)20-13-16-8-5-6-11-18(16)21-28(4,24)25/h5-12,14,21H,13H2,1-4H3,(H,20,23)
InChIKeyRZLXUICPNXTLQK-UHFFFAOYSA-N
XLogP2.02
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119641846
benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate
CID 26878123
N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78875776
N-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 55711111
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476520

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55711315) is N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2NS(C)(=O)=O)c1.
What is the InChIKey of N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is RZLXUICPNXTLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-14(2)22(3)29(26,27)17-10-7-9-15(12-17)19(23)20-13-16-8-5-6-11-18(16)21-28(4,24)25/h5-12,14,21H,13H2,1-4H3,(H,20,23).
What are the key properties of N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55711315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).