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

C12H18ClN3O3S — CID 43908500

IUPAC2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
SMILESCN(C)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-16(2)7-6-14-12(17)10-5-4-9(8-11(10)13)15-20(3,18)19/h4-5,8,15H,6-7H2,1-3H3,(H,14,17)
InChIKeyJJCYLEAKINPQOP-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.00
Rot. Bonds6

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

2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide (PubChem CID 43908500) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
PubChem CID43908500
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
SMILESCN(C)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-16(2)7-6-14-12(17)10-5-4-9(8-11(10)13)15-20(3,18)19/h4-5,8,15H,6-7H2,1-3H3,(H,14,17)
InChIKeyJJCYLEAKINPQOP-UHFFFAOYSA-N
XLogP1.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
CID 92686029
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide
CID 133239724
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 92677554
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134
2-chloro-4-(methanesulfonamido)-N-naphthalen-2-ylbenzamide
CID 99951407
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
2-chloro-N-(4-chloro-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28580400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide (CID 43908500) is 2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide is CN(C)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide?
The InChIKey is JJCYLEAKINPQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-16(2)7-6-14-12(17)10-5-4-9(8-11(10)13)15-20(3,18)19/h4-5,8,15H,6-7H2,1-3H3,(H,14,17).
What are the key properties of 2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide?
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide has a molecular weight of 319.81 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 43908500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).