N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide

C14H17FN2O4S3 — CID 113066996

IUPACN-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1cccs1)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4S3/c1-23(18,19)17(11-12-4-6-13(15)7-5-12)9-8-16-24(20,21)14-3-2-10-22-14/h2-7,10,16H,8-9,11H2,1H3
InChIKeyPBGHEJIWXFHSRI-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.63
Rot. Bonds8

About N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide

N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide (PubChem CID 113066996) has the molecular formula C14H17FN2O4S3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
PubChem CID113066996
Molecular FormulaC14H17FN2O4S3
Molecular Weight392.50 g/mol
Exact Mass392.03
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1cccs1)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4S3/c1-23(18,19)17(11-12-4-6-13(15)7-5-12)9-8-16-24(20,21)14-3-2-10-22-14/h2-7,10,16H,8-9,11H2,1H3
InChIKeyPBGHEJIWXFHSRI-UHFFFAOYSA-N
XLogP1.63
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethyl]thiophene-2-sulfonamide
CID 66879324
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
CID 113069717
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
CID 113068957
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066969
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 113067090
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113066614

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide (CID 113066996) is N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide is CS(=O)(=O)N(CCNS(=O)(=O)c1cccs1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide?
The InChIKey is PBGHEJIWXFHSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S3/c1-23(18,19)17(11-12-4-6-13(15)7-5-12)9-8-16-24(20,21)14-3-2-10-22-14/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide?
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide has a molecular weight of 392.50 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113066996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).