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

C13H19ClN2O4S — CID 7354928

IUPAC(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S/c1-4-7-15-13(17)9(2)16-21(18,19)10-5-6-12(20-3)11(14)8-10/h5-6,8-9,16H,4,7H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyQZEVABWEGVTYSP-VIFPVBQESA-N
MW334.83 g/mol
LogP1.54
Rot. Bonds7

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

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 7354928) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
PubChem CID7354928
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S/c1-4-7-15-13(17)9(2)16-21(18,19)10-5-6-12(20-3)11(14)8-10/h5-6,8-9,16H,4,7H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyQZEVABWEGVTYSP-VIFPVBQESA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chlorophenyl)propanamide
CID 3885405
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7477015
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30404026
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 94861716
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 79255139
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 106612613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide (CID 7354928) is (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is QZEVABWEGVTYSP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-4-7-15-13(17)9(2)16-21(18,19)10-5-6-12(20-3)11(14)8-10/h5-6,8-9,16H,4,7H2,1-3H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide?
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 334.83 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 7354928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).