N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide

C15H18FN3O2S — CID 39657352

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1ccnc(N(C)C)c1
InChIInChI=1S/C15H18FN3O2S/c1-11-4-5-13(16)9-14(11)22(20,21)18-10-12-6-7-17-15(8-12)19(2)3/h4-9,18H,10H2,1-3H3
InChIKeyCMIKRTXIXLNBET-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.07
Rot. Bonds5

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 39657352) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID39657352
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1ccnc(N(C)C)c1
InChIInChI=1S/C15H18FN3O2S/c1-11-4-5-13(16)9-14(11)22(20,21)18-10-12-6-7-17-15(8-12)19(2)3/h4-9,18H,10H2,1-3H3
InChIKeyCMIKRTXIXLNBET-UHFFFAOYSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide
CID 55642050
4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide
CID 55642208
N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 75493750
5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61283363
N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 61061992
3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 87032497
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55642240
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 3865899
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide (CID 39657352) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCc1ccnc(N(C)C)c1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is CMIKRTXIXLNBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-11-4-5-13(16)9-14(11)22(20,21)18-10-12-6-7-17-15(8-12)19(2)3/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 39657352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).