2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide

C16H17ClN2O3S — CID 2986068

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S/c1-12(16(20)18-14-8-4-3-5-9-14)19(23(2,21)22)15-10-6-7-13(17)11-15/h3-12H,1-2H3,(H,18,20)
InChIKeyPFSWEWRXIBCDQS-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.13
Rot. Bonds5

About 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide

2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide (PubChem CID 2986068) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
PubChem CID2986068
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S/c1-12(16(20)18-14-8-4-3-5-9-14)19(23(2,21)22)15-10-6-7-13(17)11-15/h3-12H,1-2H3,(H,18,20)
InChIKeyPFSWEWRXIBCDQS-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2210370
CID 2210370
CID 1364364
CID 1364364
CID 4384110
CID 4384110
CID 4876025
CID 4876025
CID 788650
CID 788650
CID 954246
CID 954246
CID 964121
CID 964121
CID 2111492
CID 2111492
CID 2115027
CID 2115027
CID 4001201
CID 4001201
CID 662555
CID 662555
CID 647018
CID 647018

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide (CID 2986068) is 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide?
The InChIKey is PFSWEWRXIBCDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-12(16(20)18-14-8-4-3-5-9-14)19(23(2,21)22)15-10-6-7-13(17)11-15/h3-12H,1-2H3,(H,18,20).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide has a molecular weight of 352.84 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide is sourced from PubChem (CID 2986068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).