2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide

C19H21N7O4S — CID 71792253

IUPAC2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide
SMILESCN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)n1
InChIInChI=1S/C19H21N7O4S/c1-24(2)19(28)17-21-23-26(22-17)15-9-7-14(8-10-15)20-18(27)13-5-11-16(12-6-13)31(29,30)25(3)4/h5-12H,1-4H3,(H,20,27)
InChIKeyXSKIMGKCFUSDHL-UHFFFAOYSA-N
MW443.49 g/mol
LogP0.87
Rot. Bonds6

About 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide

2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide (PubChem CID 71792253) has the molecular formula C19H21N7O4S and a molecular weight of 443.49 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide
PubChem CID71792253
Molecular FormulaC19H21N7O4S
Molecular Weight443.49 g/mol
Exact Mass443.14
IUPAC Name2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide
SMILESCN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)n1
InChIInChI=1S/C19H21N7O4S/c1-24(2)19(28)17-21-23-26(22-17)15-9-7-14(8-10-15)20-18(27)13-5-11-16(12-6-13)31(29,30)25(3)4/h5-12H,1-4H3,(H,20,27)
InChIKeyXSKIMGKCFUSDHL-UHFFFAOYSA-N
XLogP0.87
TPSA130.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide 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

N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide
CID 71792254
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
4-(dimethylsulfamoyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8753105
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791318
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide?
The IUPAC name of 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide (CID 71792253) is 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide?
The canonical SMILES for 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide is CN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)n1.
What is the InChIKey of 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide?
The InChIKey is XSKIMGKCFUSDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O4S/c1-24(2)19(28)17-21-23-26(22-17)15-9-7-14(8-10-15)20-18(27)13-5-11-16(12-6-13)31(29,30)25(3)4/h5-12H,1-4H3,(H,20,27).
What are the key properties of 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide?
2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide is sourced from PubChem (CID 71792253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).