N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H14FNO2S2 — CID 35389306

IUPACN-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H14FNO2S2/c15-13-5-1-2-6-14(13)20(17,18)16(11-7-8-11)10-12-4-3-9-19-12/h1-6,9,11H,7-8,10H2
InChIKeyJIGCURFSKLNTMX-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.24
Rot. Bonds5

About N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 35389306) has the molecular formula C14H14FNO2S2 and a molecular weight of 311.40 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID35389306
Molecular FormulaC14H14FNO2S2
Molecular Weight311.40 g/mol
Exact Mass311.04
IUPAC NameN-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H14FNO2S2/c15-13-5-1-2-6-14(13)20(17,18)16(11-7-8-11)10-12-4-3-9-19-12/h1-6,9,11H,7-8,10H2
InChIKeyJIGCURFSKLNTMX-UHFFFAOYSA-N
XLogP3.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 106545411
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 61449336
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 65207195
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90610877
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 61111603
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 60960278
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 35389306) is N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1F)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is JIGCURFSKLNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S2/c15-13-5-1-2-6-14(13)20(17,18)16(11-7-8-11)10-12-4-3-9-19-12/h1-6,9,11H,7-8,10H2.
What are the key properties of N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 35389306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).