3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide

C13H16ClN3O3S — CID 78797988

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O3S/c1-17(9-3-7-15)13(18)6-8-16-21(19,20)12-5-2-4-11(14)10-12/h2,4-5,10,16H,3,6,8-9H2,1H3
InChIKeyDSLWNATVOIRQGC-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.38
Rot. Bonds7

About 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide

3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide (PubChem CID 78797988) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide
PubChem CID78797988
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O3S/c1-17(9-3-7-15)13(18)6-8-16-21(19,20)12-5-2-4-11(14)10-12/h2,4-5,10,16H,3,6,8-9H2,1H3
InChIKeyDSLWNATVOIRQGC-UHFFFAOYSA-N
XLogP1.38
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 51125196
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143
N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 35825092
3-(3-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-methylpropanamide
CID 62645592
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3-chloro-N-pent-3-ynylbenzenesulfonamide
CID 115977985
3-chloro-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 3731501
N-(2-cyanoethyl)-2-(2,5-dichlorophenyl)sulfonyl-N-methylacetamide
CID 64692201

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide (CID 78797988) is 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide is CN(CCC#N)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide?
The InChIKey is DSLWNATVOIRQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-17(9-3-7-15)13(18)6-8-16-21(19,20)12-5-2-4-11(14)10-12/h2,4-5,10,16H,3,6,8-9H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide has a molecular weight of 329.81 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-(2-cyanoethyl)-N-methylpropanamide is sourced from PubChem (CID 78797988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).