(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide

C15H22FNO3S — CID 95156763

IUPAC(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO3S/c1-4-10-17(11-5-2)15(18)12(3)21(19,20)14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyZAXMJNXAVDSENC-LBPRGKRZSA-N
MW315.41 g/mol
LogP2.64
Rot. Bonds7

About (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide

(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide (PubChem CID 95156763) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
PubChem CID95156763
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO3S/c1-4-10-17(11-5-2)15(18)12(3)21(19,20)14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyZAXMJNXAVDSENC-LBPRGKRZSA-N
XLogP2.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide
CID 55739528
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide
CID 110497943
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077
2-(4-fluorophenoxy)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60656705
2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64643284
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 71857042
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
2-(4-fluorophenyl)sulfonylbutanamide
CID 64717963
N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55813419
2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide
CID 86992879

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide (CID 95156763) is (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide is CCCN(CCC)C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide?
The InChIKey is ZAXMJNXAVDSENC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-4-10-17(11-5-2)15(18)12(3)21(19,20)14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide?
(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide has a molecular weight of 315.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide is sourced from PubChem (CID 95156763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).