5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide

C14H13BrFNO2S2 — CID 26531289

IUPAC5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Br)s1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H13BrFNO2S2/c15-13-7-8-14(20-13)21(18,19)17(12-5-6-12)9-10-1-3-11(16)4-2-10/h1-4,7-8,12H,5-6,9H2
InChIKeyKJLDSFRZBQZNLN-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.00
Rot. Bonds5

About 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide

5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 26531289) has the molecular formula C14H13BrFNO2S2 and a molecular weight of 390.30 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID26531289
Molecular FormulaC14H13BrFNO2S2
Molecular Weight390.30 g/mol
Exact Mass388.96
IUPAC Name5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Br)s1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H13BrFNO2S2/c15-13-7-8-14(20-13)21(18,19)17(12-5-6-12)9-10-1-3-11(16)4-2-10/h1-4,7-8,12H,5-6,9H2
InChIKeyKJLDSFRZBQZNLN-UHFFFAOYSA-N
XLogP4.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 61072223
N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 138498010
5-bromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-sulfonamide
CID 63422527
5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 61067742
2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 107651000
N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide
CID 80578200
N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 166242216
5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-pyrazol-1-ylthiophene-3-carboxamide
CID 141436316
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide
CID 61230956
5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61167567
N-cyclobutyl-2,3,5-trifluoro-N-[(4-fluorophenyl)methyl]-4,6-dimethylbenzenesulfonamide
CID 138498077
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 26531289) is 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(c1ccc(Br)s1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is KJLDSFRZBQZNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S2/c15-13-7-8-14(20-13)21(18,19)17(12-5-6-12)9-10-1-3-11(16)4-2-10/h1-4,7-8,12H,5-6,9H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 390.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 26531289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).