2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid

C23H26N2O4S — CID 68864170

IUPAC2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid
SMILESCC(C)(C)CCNc1ccccc1S(=O)(=O)Nc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)14-15-24-18-10-6-7-11-20(18)30(28,29)25-19-13-12-16-8-4-5-9-17(16)21(19)22(26)27/h4-13,24-25H,14-15H2,1-3H3,(H,26,27)
InChIKeyMDZXMGGBBNRRKY-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.19
Rot. Bonds7

About 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid

2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid (PubChem CID 68864170) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid
PubChem CID68864170
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid
SMILESCC(C)(C)CCNc1ccccc1S(=O)(=O)Nc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)14-15-24-18-10-6-7-11-20(18)30(28,29)25-19-13-12-16-8-4-5-9-17(16)21(19)22(26)27/h4-13,24-25H,14-15H2,1-3H3,(H,26,27)
InChIKeyMDZXMGGBBNRRKY-UHFFFAOYSA-N
XLogP5.19
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic 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

2-[[2-(2-propan-2-yloxyethylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid
CID 68864527
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)naphthalene-1-carboxylic acid
CID 10000157
2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 10044144
6-(naphthalen-1-ylsulfonylamino)-1H-indole-7-carboxylic acid
CID 68865000
6-[[2-(3-aminopropylamino)phenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid
CID 68864816
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
N-(2-acetyl-3-chlorophenyl)naphthalene-1-sulfonamide
CID 22888906
2-[[2-[2-(dipropylamino)ethylamino]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 68864056
2-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 11670027
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
2-[[2-[4-(dimethylamino)butylamino]phenyl]sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid
CID 68864889

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid?
The IUPAC name of 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid (CID 68864170) is 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid?
The canonical SMILES for 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid is CC(C)(C)CCNc1ccccc1S(=O)(=O)Nc1ccc2ccccc2c1C(=O)O.
What is the InChIKey of 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid?
The InChIKey is MDZXMGGBBNRRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-23(2,3)14-15-24-18-10-6-7-11-20(18)30(28,29)25-19-13-12-16-8-4-5-9-17(16)21(19)22(26)27/h4-13,24-25H,14-15H2,1-3H3,(H,26,27).
What are the key properties of 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid?
2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid has a molecular weight of 426.54 g/mol, XLogP of 5.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,3-dimethylbutylamino)phenyl]sulfonylamino]naphthalene-1-carboxylic acid is sourced from PubChem (CID 68864170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).