4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H17ClFNO3S2 — CID 9191042

IUPAC4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1F)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C16H17ClFNO3S2/c17-12-5-6-16(15(18)9-12)24(20,21)19(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7,10-11H2/t13-/m0/s1
InChIKeyDOUQNTAARDENRI-ZDUSSCGKSA-N
MW389.90 g/mol
LogP3.91
Rot. Bonds6

About 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9191042) has the molecular formula C16H17ClFNO3S2 and a molecular weight of 389.90 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9191042
Molecular FormulaC16H17ClFNO3S2
Molecular Weight389.90 g/mol
Exact Mass389.03
IUPAC Name4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1F)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C16H17ClFNO3S2/c17-12-5-6-16(15(18)9-12)24(20,21)19(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7,10-11H2/t13-/m0/s1
InChIKeyDOUQNTAARDENRI-ZDUSSCGKSA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3207126
4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4048750
2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 42947045
3-chloro-4-fluoro-N-(tetrahydro-2H-pyran-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 76147248
4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8321273
4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8321275
4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801769
4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191001
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191002
2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191003
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191004
3-chloro-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191019

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9191042) is 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1F)N(Cc1cccs1)C[C@@H]1CCCO1.
What is the InChIKey of 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is DOUQNTAARDENRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17ClFNO3S2/c17-12-5-6-16(15(18)9-12)24(20,21)19(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7,10-11H2/t13-/m0/s1.
What are the key properties of 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 389.90 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9191042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).