2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide

C21H28ClN3O3S — CID 60539116

IUPAC2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCc2cccc(S(=O)(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C21H28ClN3O3S/c1-6-21(2,3)24-20(26)18-11-10-16(13-19(18)22)23-14-15-8-7-9-17(12-15)29(27,28)25(4)5/h7-13,23H,6,14H2,1-5H3,(H,24,26)
InChIKeyWXXYNBKBOHPEPV-UHFFFAOYSA-N
MW437.99 g/mol
LogP4.12
Rot. Bonds8

About 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide

2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 60539116) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID60539116
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCc2cccc(S(=O)(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C21H28ClN3O3S/c1-6-21(2,3)24-20(26)18-11-10-16(13-19(18)22)23-14-15-8-7-9-17(12-15)29(27,28)25(4)5/h7-13,23H,6,14H2,1-5H3,(H,24,26)
InChIKeyWXXYNBKBOHPEPV-UHFFFAOYSA-N
XLogP4.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 60539228
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304
4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
CID 119738309
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 100625550
2,4-dichloro-5-(diethylsulfamoyl)-N-(2-methylbutan-2-yl)benzamide
CID 4776215
4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114280117
N-[3-[[3-(dimethylsulfamoyl)phenyl]methylamino]-4-methylphenyl]benzamide
CID 55898387
2-chloro-5-(dimethylsulfamoyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 30839055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide (CID 60539116) is 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NCc2cccc(S(=O)(=O)N(C)C)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is WXXYNBKBOHPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-6-21(2,3)24-20(26)18-11-10-16(13-19(18)22)23-14-15-8-7-9-17(12-15)29(27,28)25(4)5/h7-13,23H,6,14H2,1-5H3,(H,24,26).
What are the key properties of 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide?
2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 437.99 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-(dimethylsulfamoyl)phenyl]methylamino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 60539116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).