N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide

C14H14ClF3N2O4S3 — CID 90818914

IUPACN-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccsc1CC(N)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H14ClF3N2O4S3/c1-8-9(15)3-2-4-12(8)27(23,24)20-10-5-6-25-11(10)7-13(19)26(21,22)14(16,17)18/h2-6,13,20H,7,19H2,1H3
InChIKeyDNCKAYCSZLMELF-UHFFFAOYSA-N
MW462.92 g/mol
LogP3.27
Rot. Bonds6

About N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide

N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide (PubChem CID 90818914) has the molecular formula C14H14ClF3N2O4S3 and a molecular weight of 462.92 g/mol. Its IUPAC name is N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide
PubChem CID90818914
Molecular FormulaC14H14ClF3N2O4S3
Molecular Weight462.92 g/mol
Exact Mass461.98
IUPAC NameN-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccsc1CC(N)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H14ClF3N2O4S3/c1-8-9(15)3-2-4-12(8)27(23,24)20-10-5-6-25-11(10)7-13(19)26(21,22)14(16,17)18/h2-6,13,20H,7,19H2,1H3
InChIKeyDNCKAYCSZLMELF-UHFFFAOYSA-N
XLogP3.27
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-2-yl]acetyl]piperazine-1-carboxylic acid
CID 138544785
[1-[3-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-2-yl]peroxy-1-oxobutan-2-yl] acetate
CID 91014266
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide
CID 143906895
3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 86824893
3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 95368266
2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 10286794
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide (CID 90818914) is N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccsc1CC(N)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is DNCKAYCSZLMELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O4S3/c1-8-9(15)3-2-4-12(8)27(23,24)20-10-5-6-25-11(10)7-13(19)26(21,22)14(16,17)18/h2-6,13,20H,7,19H2,1H3.
What are the key properties of N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide?
N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide has a molecular weight of 462.92 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-amino-2-(trifluoromethylsulfonyl)ethyl]thiophen-3-yl]-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 90818914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).