N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide

C15H18FN9O2S — CID 122319830

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCN(C)c1ncc(NS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)c(N(C)C)n1
InChIInChI=1S/C15H18FN9O2S/c1-24(2)14-12(8-17-15(18-14)25(3)4)21-28(26,27)9-5-6-11(16)10(7-9)13-19-22-23-20-13/h5-8,21H,1-4H3,(H,19,20,22,23)
InChIKeyREQDYOHYTBPTQB-UHFFFAOYSA-N
MW407.44 g/mol
LogP0.73
Rot. Bonds6

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 122319830) has the molecular formula C15H18FN9O2S and a molecular weight of 407.44 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID122319830
Molecular FormulaC15H18FN9O2S
Molecular Weight407.44 g/mol
Exact Mass407.13
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCN(C)c1ncc(NS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)c(N(C)C)n1
InChIInChI=1S/C15H18FN9O2S/c1-24(2)14-12(8-17-15(18-14)25(3)4)21-28(26,27)9-5-6-11(16)10(7-9)13-19-22-23-20-13/h5-8,21H,1-4H3,(H,19,20,22,23)
InChIKeyREQDYOHYTBPTQB-UHFFFAOYSA-N
XLogP0.73
TPSA132.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide 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-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122320087
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 122319807
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122285414
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122296927
4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 44576535
4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122284592
4-fluoro-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122317339
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
CID 122319347
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122293530
4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122284170
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide (CID 122319830) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide is CN(C)c1ncc(NS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is REQDYOHYTBPTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN9O2S/c1-24(2)14-12(8-17-15(18-14)25(3)4)21-28(26,27)9-5-6-11(16)10(7-9)13-19-22-23-20-13/h5-8,21H,1-4H3,(H,19,20,22,23).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 407.44 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 122319830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).