2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide

C14H16ClFN2O2S2 — CID 134697084

IUPAC2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2nc(C)c(C)s2)c(Cl)cc1F
InChIInChI=1S/C14H16ClFN2O2S2/c1-8-6-13(11(15)7-12(8)16)22(19,20)17-5-4-14-18-9(2)10(3)21-14/h6-7,17H,4-5H2,1-3H3
InChIKeyXBKJRRUZRDSGRW-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.38
Rot. Bonds5

About 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide

2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide (PubChem CID 134697084) has the molecular formula C14H16ClFN2O2S2 and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
PubChem CID134697084
Molecular FormulaC14H16ClFN2O2S2
Molecular Weight362.88 g/mol
Exact Mass362.03
IUPAC Name2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2nc(C)c(C)s2)c(Cl)cc1F
InChIInChI=1S/C14H16ClFN2O2S2/c1-8-6-13(11(15)7-12(8)16)22(19,20)17-5-4-14-18-9(2)10(3)21-14/h6-7,17H,4-5H2,1-3H3
InChIKeyXBKJRRUZRDSGRW-UHFFFAOYSA-N
XLogP3.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide
CID 165483617
N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119962035
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110739533
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline
CID 82119304
N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide
CID 99978040
2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90558451
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126
2-chloro-5-fluoro-4-methylbenzenesulfonohydrazide
CID 171366796
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 110446031
2-fluoro-5-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzenesulfonamide
CID 47093271
2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide
CID 100723482
4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82124919

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide (CID 134697084) is 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2nc(C)c(C)s2)c(Cl)cc1F.
What is the InChIKey of 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide?
The InChIKey is XBKJRRUZRDSGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2S2/c1-8-6-13(11(15)7-12(8)16)22(19,20)17-5-4-14-18-9(2)10(3)21-14/h6-7,17H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide?
2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide has a molecular weight of 362.88 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 134697084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).