3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide

C14H20ClN3O4S — CID 43910063

IUPAC3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O4S/c1-23(20,21)17-13-3-2-11(10-12(13)15)14(19)16-4-5-18-6-8-22-9-7-18/h2-3,10,17H,4-9H2,1H3,(H,16,19)
InChIKeyLYHIUSAQORZEMV-UHFFFAOYSA-N
MW361.85 g/mol
LogP0.77
Rot. Bonds6

About 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide

3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 43910063) has the molecular formula C14H20ClN3O4S and a molecular weight of 361.85 g/mol. Its IUPAC name is 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID43910063
Molecular FormulaC14H20ClN3O4S
Molecular Weight361.85 g/mol
Exact Mass361.09
IUPAC Name3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O4S/c1-23(20,21)17-13-3-2-11(10-12(13)15)14(19)16-4-5-18-6-8-22-9-7-18/h2-3,10,17H,4-9H2,1H3,(H,16,19)
InChIKeyLYHIUSAQORZEMV-UHFFFAOYSA-N
XLogP0.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 99969256
4-chloro-3-(diethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 2326320
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 35161549
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 28577865

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide (CID 43910063) is 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is LYHIUSAQORZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S/c1-23(20,21)17-13-3-2-11(10-12(13)15)14(19)16-4-5-18-6-8-22-9-7-18/h2-3,10,17H,4-9H2,1H3,(H,16,19).
What are the key properties of 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide?
3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 361.85 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 43910063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).