N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide

C17H20ClN3O3S — CID 146649767

IUPACN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-21(2)15-8-5-12(6-9-15)17(22)19-11-13-4-7-14(10-16(13)18)20-25(3,23)24/h4-10,20H,11H2,1-3H3,(H,19,22)
InChIKeyOXKRVGZLVQWDHU-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.71
Rot. Bonds6

About N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide

N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide (PubChem CID 146649767) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide
PubChem CID146649767
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-21(2)15-8-5-12(6-9-15)17(22)19-11-13-4-7-14(10-16(13)18)20-25(3,23)24/h4-10,20H,11H2,1-3H3,(H,19,22)
InChIKeyOXKRVGZLVQWDHU-UHFFFAOYSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide (CID 146649767) is N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1.
What is the InChIKey of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide?
The InChIKey is OXKRVGZLVQWDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-21(2)15-8-5-12(6-9-15)17(22)19-11-13-4-7-14(10-16(13)18)20-25(3,23)24/h4-10,20H,11H2,1-3H3,(H,19,22).
What are the key properties of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide?
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide has a molecular weight of 381.89 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 146649767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).