4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid

C12H15ClN2O5S — CID 44432678

IUPAC4-chloro-2-(oxolan-2-ylmethylamino)-5-sulfamoylbenzoic acid
SMILESC1CC(OC1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
InChIInChI=1S/C12H15ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h4-5,7,15H,1-3,6H2,(H,16,17)(H2,14,18,19)
InChIKeyCWQFVCNJRVCZFP-UHFFFAOYSA-N
MW334.78 g/mol
LogP1.60
Rot. Bonds5

About 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid

4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid (PubChem CID 44432678) has the molecular formula C12H15ClN2O5S and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-chloro-2-(oxolan-2-ylmethylamino)-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid
PubChem CID44432678
Molecular FormulaC12H15ClN2O5S
Molecular Weight334.78 g/mol
Exact Mass334.04
IUPAC Name4-chloro-2-(oxolan-2-ylmethylamino)-5-sulfamoylbenzoic acid
SMILESC1CC(OC1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
InChIInChI=1S/C12H15ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h4-5,7,15H,1-3,6H2,(H,16,17)(H2,14,18,19)
InChIKeyCWQFVCNJRVCZFP-UHFFFAOYSA-N
XLogP1.60
TPSA127.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity481

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Furosemide
CID 3440
N-Benzyl-4-chloro-5-sulfamoylanthranilic acid
CID 688341
4-Chloro-2-(cyclooctylamino)-5-sulfamoylbenzoic acid
CID 145956924
4-Chloro-2-(cyclohexylamino)-5-[(dimethylamino)sulfonyl]benzoic acid
CID 1330887
4-Chloro-2-[(2-furanylmethyl)amino]-5-[(methylamino)sulfonyl]benzoic acid
CID 46853798
4-Chloro-2-{[3-(dimethylamino)propyl]amino}-5-(1-piperidinylsulfonyl)benzoic acid
CID 2192390
5-(Aminosulfonyl)-4-chloro-2-[(ethoxycarbonyl)amino]benzoic acid
CID 134990746
2-{[4-Chloro-3-(4-morpholinylsulfonyl)benzoyl]amino}benzoic acid
CID 1240016
4-Chloro-2-[(2-methylpropyl)amino]-5-[(2-methylpropyl)sulfamoyl]benzoic acid
CID 1361153
Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-(cyclohexylamino)-
CID 12698198
4-Chloro-2-(propylamino)-5-sulfamoylbenzoic acid
CID 50739469
Furosemide hydrochloride
CID 54583777

Frequently Asked Questions

What is the IUPAC name of 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid?
The IUPAC name of 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid (CID 44432678) is 4-chloro-2-(oxolan-2-ylmethylamino)-5-sulfamoylbenzoic acid.
What is the SMILES notation for 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid?
The canonical SMILES for 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid is C1CC(OC1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl.
What is the InChIKey of 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid?
The InChIKey is CWQFVCNJRVCZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h4-5,7,15H,1-3,6H2,(H,16,17)(H2,14,18,19).
What are the key properties of 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid?
4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid has a molecular weight of 334.78 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid is sourced from PubChem (CID 44432678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).