2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide

C16H14ClN3O3S — CID 49456467

IUPAC2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide
SMILESN#Cc1cc(S(=O)(=O)NC(Cc2ccccc2)C(N)=O)ccc1Cl
InChIInChI=1S/C16H14ClN3O3S/c17-14-7-6-13(9-12(14)10-18)24(22,23)20-15(16(19)21)8-11-4-2-1-3-5-11/h1-7,9,15,20H,8H2,(H2,19,21)
InChIKeyCHIPWSDCBCISJO-UHFFFAOYSA-N
MW363.83 g/mol
LogP1.59
Rot. Bonds6

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

2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 49456467) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID49456467
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide
SMILESN#Cc1cc(S(=O)(=O)NC(Cc2ccccc2)C(N)=O)ccc1Cl
InChIInChI=1S/C16H14ClN3O3S/c17-14-7-6-13(9-12(14)10-18)24(22,23)20-15(16(19)21)8-11-4-2-1-3-5-11/h1-7,9,15,20H,8H2,(H2,19,21)
InChIKeyCHIPWSDCBCISJO-UHFFFAOYSA-N
XLogP1.59
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30166041
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 56726550
2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide
CID 6737140
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54073929
(2R)-4-amino-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 104935170
3-[[(1S)-1-carboxylato-2-phenylethyl]sulfamoyl]-4-chlorobenzoate
CID 2327725

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of 2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide (CID 49456467) is 2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for 2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide is N#Cc1cc(S(=O)(=O)NC(Cc2ccccc2)C(N)=O)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is CHIPWSDCBCISJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-14-7-6-13(9-12(14)10-18)24(22,23)20-15(16(19)21)8-11-4-2-1-3-5-11/h1-7,9,15,20H,8H2,(H2,19,21).
What are the key properties of 2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide?
2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 363.83 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 49456467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).