N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide

C16H16ClFN2O3S2 — CID 50777456

IUPACN-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESO=C(c1csc(S(=O)(=O)Nc2ccc(Cl)cc2F)c1)N1CCCCC1
InChIInChI=1S/C16H16ClFN2O3S2/c17-12-4-5-14(13(18)9-12)19-25(22,23)15-8-11(10-24-15)16(21)20-6-2-1-3-7-20/h4-5,8-10,19H,1-3,6-7H2
InChIKeyQGBNILGCUMYMBG-UHFFFAOYSA-N
MW402.90 g/mol
LogP3.97
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide

N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 50777456) has the molecular formula C16H16ClFN2O3S2 and a molecular weight of 402.90 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID50777456
Molecular FormulaC16H16ClFN2O3S2
Molecular Weight402.90 g/mol
Exact Mass402.03
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESO=C(c1csc(S(=O)(=O)Nc2ccc(Cl)cc2F)c1)N1CCCCC1
InChIInChI=1S/C16H16ClFN2O3S2/c17-12-4-5-14(13(18)9-12)19-25(22,23)15-8-11(10-24-15)16(21)20-6-2-1-3-7-20/h4-5,8-10,19H,1-3,6-7H2
InChIKeyQGBNILGCUMYMBG-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621427
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549
N-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777514
N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777538
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 50777672
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806843
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide (CID 50777456) is N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide is O=C(c1csc(S(=O)(=O)Nc2ccc(Cl)cc2F)c1)N1CCCCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is QGBNILGCUMYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S2/c17-12-4-5-14(13(18)9-12)19-25(22,23)15-8-11(10-24-15)16(21)20-6-2-1-3-7-20/h4-5,8-10,19H,1-3,6-7H2.
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide?
N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 402.90 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50777456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).