N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide

C13H19ClN2O3S — CID 64698778

IUPACN-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-16(9-2-8-15)13(17)7-10-20(18,19)12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyBQLKHOMSAWFQQA-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.31
Rot. Bonds7

About N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide

N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide (PubChem CID 64698778) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
PubChem CID64698778
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-16(9-2-8-15)13(17)7-10-20(18,19)12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyBQLKHOMSAWFQQA-UHFFFAOYSA-N
XLogP1.31
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide
CID 64697008
3-(benzenesulfonyl)-N-butyl-N-methylpropanamide
CID 110294976
3-(4-chlorophenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 9020428
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
CID 8964829
2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide
CID 47446513
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
N-(2-cyanoethyl)-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 60707481
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide (CID 64698778) is N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide is CN(CCCN)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide?
The InChIKey is BQLKHOMSAWFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-16(9-2-8-15)13(17)7-10-20(18,19)12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide?
N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide has a molecular weight of 318.83 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 64698778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).