5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid

C12H15NO5S — CID 70941084

IUPAC5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
SMILESCOc1ccc(S(=O)(=O)NC=CCCC(=O)O)cc1
InChIInChI=1S/C12H15NO5S/c1-18-10-5-7-11(8-6-10)19(16,17)13-9-3-2-4-12(14)15/h3,5-9,13H,2,4H2,1H3,(H,14,15)
InChIKeyBBHJAWMVJJVRQU-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.35
Rot. Bonds7

About 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid

5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid (PubChem CID 70941084) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
PubChem CID70941084
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
SMILESCOc1ccc(S(=O)(=O)NC=CCCC(=O)O)cc1
InChIInChI=1S/C12H15NO5S/c1-18-10-5-7-11(8-6-10)19(16,17)13-9-3-2-4-12(14)15/h3,5-9,13H,2,4H2,1H3,(H,14,15)
InChIKeyBBHJAWMVJJVRQU-UHFFFAOYSA-N
XLogP1.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-Dimethoxybenzenesulfonamido)acetic acid
CID 701118
2-{[(4-Methoxyphenyl)sulfonyl]amino}propanoic acid
CID 362748
2-(4-Methoxybenzenesulfonamido)acetic acid
CID 705710
N-[(4-methoxyphenyl)sulfonyl]-D-alanine
CID 705712
N-[(4-methoxyphenyl)sulfonyl]norvaline
CID 3745781
L-Valine, N-[(4-methoxyphenyl)sulfonyl]-
CID 1133587
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
Methyl 2-(4-methoxyphenylsulfonamido)acetate
CID 743488
2-(4-Ethoxybenzenesulfonamido)acetic acid
CID 757400
4-Methoxy-N-methylbenzenesulfonamide
CID 2497429
4-(3-Aminopropoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 145948178
N-[(4-methoxyphenyl)sulfonyl]norleucine
CID 2907798

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid (CID 70941084) is 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid is COc1ccc(S(=O)(=O)NC=CCCC(=O)O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid?
The InChIKey is BBHJAWMVJJVRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-18-10-5-7-11(8-6-10)19(16,17)13-9-3-2-4-12(14)15/h3,5-9,13H,2,4H2,1H3,(H,14,15).
What are the key properties of 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid?
5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid has a molecular weight of 285.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid is sourced from PubChem (CID 70941084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).