N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide

C18H15F2N3O2S2 — CID 17456659

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide
SMILESCc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)n1
InChIInChI=1S/C18H15F2N3O2S2/c1-11-9-12(2)22-18(21-11)26-14-5-3-13(4-6-14)23-27(24,25)15-7-8-16(19)17(20)10-15/h3-10,23H,1-2H3
InChIKeySIVFQQYYCFWWNB-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.32
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide (PubChem CID 17456659) has the molecular formula C18H15F2N3O2S2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide
PubChem CID17456659
Molecular FormulaC18H15F2N3O2S2
Molecular Weight407.47 g/mol
Exact Mass407.06
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide
SMILESCc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)n1
InChIInChI=1S/C18H15F2N3O2S2/c1-11-9-12(2)22-18(21-11)26-14-5-3-13(4-6-14)23-27(24,25)15-7-8-16(19)17(20)10-15/h3-10,23H,1-2H3
InChIKeySIVFQQYYCFWWNB-UHFFFAOYSA-N
XLogP4.32
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide 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

Sulfamethazine
CID 5327
Sulfisomidine
CID 5343
Sulfamethazine Sodium
CID 13456556
4-[(4,6-Dimethylpyrimidin-2-Yl)thio]-2,3,5,6-Tetrafluorobenzenesulfonamide
CID 71299336
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]benzenesulfonamide
CID 4334677
Desaminosulfamethazine
CID 188299
Sulfisomidine Sodium
CID 3543157
4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline
CID 2737477
Sulfamethazine Bisulfate
CID 21393658
N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 1249019
N-(4-((Difluoromethyl)thio)phenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine
CID 16238272
N-(4-fluorophenyl)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 45267770

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide (CID 17456659) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide is Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is SIVFQQYYCFWWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S2/c1-11-9-12(2)22-18(21-11)26-14-5-3-13(4-6-14)23-27(24,25)15-7-8-16(19)17(20)10-15/h3-10,23H,1-2H3.
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 407.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 17456659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).