2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide

C16H17ClN2O4S — CID 2988518

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-11(16(20)18-12-6-4-3-5-7-12)19-24(21,22)13-8-9-15(23-2)14(17)10-13/h3-11,19H,1-2H3,(H,18,20)
InChIKeyKHVDFVTURMWCPZ-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.65
Rot. Bonds6

About 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide (PubChem CID 2988518) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
PubChem CID2988518
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-11(16(20)18-12-6-4-3-5-7-12)19-24(21,22)13-8-9-15(23-2)14(17)10-13/h3-11,19H,1-2H3,(H,18,20)
InChIKeyKHVDFVTURMWCPZ-UHFFFAOYSA-N
XLogP2.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide (CID 2988518) is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide is COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide?
The InChIKey is KHVDFVTURMWCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-11(16(20)18-12-6-4-3-5-7-12)19-24(21,22)13-8-9-15(23-2)14(17)10-13/h3-11,19H,1-2H3,(H,18,20).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide?
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide has a molecular weight of 368.84 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide is sourced from PubChem (CID 2988518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).