2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid

C13H20N2O4S — CID 43296175

IUPAC2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid
SMILESCCC(C)CN(C)c1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-4-9(2)8-15(3)12-6-5-10(20(14,18)19)7-11(12)13(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)(H2,14,18,19)
InChIKeyDLXGFFJGUDDIFB-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.51
Rot. Bonds6

About 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid

2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid (PubChem CID 43296175) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid
PubChem CID43296175
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid
SMILESCCC(C)CN(C)c1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-4-9(2)8-15(3)12-6-5-10(20(14,18)19)7-11(12)13(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)(H2,14,18,19)
InChIKeyDLXGFFJGUDDIFB-UHFFFAOYSA-N
XLogP1.51
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic 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

4-[methyl(2-methylbutyl)amino]-3-(trifluoromethyl)benzenesulfonamide
CID 133321695
2-[3-methoxypropyl(methyl)amino]-5-sulfamoylbenzoic acid
CID 63009379
2-(butan-2-ylamino)-5-sulfamoylbenzoic acid
CID 43088437
3-amino-4-[methyl(2-methylbutyl)amino]benzoic acid
CID 60989618
1-N-methyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382637
2-butan-2-ylsulfanyl-5-sulfamoylbenzoic acid
CID 43322728
2-[[(2R)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293867
2-[[(2S)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293868
5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
CID 79896823
2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
3-(2-methoxycarbonyl-N-methyl-4-sulfamoylanilino)propanoic acid
CID 122059502
3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide
CID 106914323

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid?
The IUPAC name of 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid (CID 43296175) is 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid is CCC(C)CN(C)c1ccc(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid?
The InChIKey is DLXGFFJGUDDIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-9(2)8-15(3)12-6-5-10(20(14,18)19)7-11(12)13(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)(H2,14,18,19).
What are the key properties of 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid?
2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid has a molecular weight of 300.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid is sourced from PubChem (CID 43296175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).