N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide

C12H18ClN3O3S — CID 103820258

IUPACN-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
SMILESCS(=O)(=O)NCCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H18ClN3O3S/c1-20(18,19)15-7-3-6-14-9-12(17)16-11-5-2-4-10(13)8-11/h2,4-5,8,14-15H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyLOHZQGBDADMEKU-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.81
Rot. Bonds8

About N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide

N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide (PubChem CID 103820258) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
PubChem CID103820258
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC NameN-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
SMILESCS(=O)(=O)NCCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H18ClN3O3S/c1-20(18,19)15-7-3-6-14-9-12(17)16-11-5-2-4-10(13)8-11/h2,4-5,8,14-15H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyLOHZQGBDADMEKU-UHFFFAOYSA-N
XLogP0.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820248
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
CID 47524076
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672
2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
CID 43546022
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide
CID 116643821
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
CID 109006709

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide (CID 103820258) is N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide is CS(=O)(=O)NCCCNCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide?
The InChIKey is LOHZQGBDADMEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-20(18,19)15-7-3-6-14-9-12(17)16-11-5-2-4-10(13)8-11/h2,4-5,8,14-15H,3,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide?
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide has a molecular weight of 319.81 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide is sourced from PubChem (CID 103820258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).