4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid

C14H21N3O4S — CID 21430463

IUPAC4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid
SMILESCCCN1CCN(c2ccc(C(=O)O)cc2S(N)(=O)=O)CC1
InChIInChI=1S/C14H21N3O4S/c1-2-5-16-6-8-17(9-7-16)12-4-3-11(14(18)19)10-13(12)22(15,20)21/h3-4,10H,2,5-9H2,1H3,(H,18,19)(H2,15,20,21)
InChIKeyIZRMWTPXYNUJQD-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.56
Rot. Bonds5

About 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid

4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid (PubChem CID 21430463) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid
PubChem CID21430463
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid
SMILESCCCN1CCN(c2ccc(C(=O)O)cc2S(N)(=O)=O)CC1
InChIInChI=1S/C14H21N3O4S/c1-2-5-16-6-8-17(9-7-16)12-4-3-11(14(18)19)10-13(12)22(15,20)21/h3-4,10H,2,5-9H2,1H3,(H,18,19)(H2,15,20,21)
InChIKeyIZRMWTPXYNUJQD-UHFFFAOYSA-N
XLogP0.56
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid
CID 46291772
N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride
CID 21430500
3-bromo-4-(4-propylpiperazin-1-yl)benzenecarbothioamide
CID 82804418
5-amino-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenesulfonamide
CID 107213924
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55463254
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid
CID 46285334
5-methylsulfonyl-2-(4-propylpiperazin-1-yl)aniline
CID 43447932
3-chloro-4-(4-propylpiperazin-1-yl)benzenecarbothioamide
CID 63087443
4-(4-methylpiperazin-1-yl)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 21430444
3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146053984
4-butoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
CID 21312161

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid?
The IUPAC name of 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid (CID 21430463) is 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid.
What is the SMILES notation for 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid?
The canonical SMILES for 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid is CCCN1CCN(c2ccc(C(=O)O)cc2S(N)(=O)=O)CC1.
What is the InChIKey of 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid?
The InChIKey is IZRMWTPXYNUJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-2-5-16-6-8-17(9-7-16)12-4-3-11(14(18)19)10-13(12)22(15,20)21/h3-4,10H,2,5-9H2,1H3,(H,18,19)(H2,15,20,21).
What are the key properties of 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid?
4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid has a molecular weight of 327.41 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylpiperazin-1-yl)-3-sulfamoylbenzoic acid is sourced from PubChem (CID 21430463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).