N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide

C18H20FN3O2S2 — CID 163622788

IUPACN-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc([C@]3(C)CCSC(N)=N3)ccc2F)cc1
InChIInChI=1S/C18H20FN3O2S2/c1-12-3-6-14(7-4-12)26(23,24)22-16-11-13(5-8-15(16)19)18(2)9-10-25-17(20)21-18/h3-8,11,22H,9-10H2,1-2H3,(H2,20,21)/t18-/m0/s1
InChIKeyHPOBMZFNZWTXIM-SFHVURJKSA-N
MW393.51 g/mol
LogP3.60
Rot. Bonds4

About N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide

N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide (PubChem CID 163622788) has the molecular formula C18H20FN3O2S2 and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide
PubChem CID163622788
Molecular FormulaC18H20FN3O2S2
Molecular Weight393.51 g/mol
Exact Mass393.10
IUPAC NameN-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc([C@]3(C)CCSC(N)=N3)ccc2F)cc1
InChIInChI=1S/C18H20FN3O2S2/c1-12-3-6-14(7-4-12)26(23,24)22-16-11-13(5-8-15(16)19)18(2)9-10-25-17(20)21-18/h3-8,11,22H,9-10H2,1-2H3,(H2,20,21)/t18-/m0/s1
InChIKeyHPOBMZFNZWTXIM-SFHVURJKSA-N
XLogP3.60
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide
CID 59374724
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]-methyl-oxoazanium
CID 159028628
(4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 118305820
4-(4-fluorophenyl)-4-methyl-6,7-dihydro-5H-1,3-thiazepin-2-amine;hydrochloride
CID 162320065
2-amino-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143731
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
4-amino-N-(2-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 61300923

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide (CID 163622788) is N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc([C@]3(C)CCSC(N)=N3)ccc2F)cc1.
What is the InChIKey of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide?
The InChIKey is HPOBMZFNZWTXIM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FN3O2S2/c1-12-3-6-14(7-4-12)26(23,24)22-16-11-13(5-8-15(16)19)18(2)9-10-25-17(20)21-18/h3-8,11,22H,9-10H2,1-2H3,(H2,20,21)/t18-/m0/s1.
What are the key properties of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide?
N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 163622788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).