4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide

C16H15F2NO5S2 — CID 34141612

IUPAC4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H15F2NO5S2/c17-16(18)25(20,21)13-5-7-14(8-6-13)26(22,23)19-10-12-9-11-3-1-2-4-15(11)24-12/h1-8,12,16,19H,9-10H2/t12-/m1/s1
InChIKeyRQSRXQDYLRQWON-GFCCVEGCSA-N
MW403.43 g/mol
LogP1.96
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide

4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide (PubChem CID 34141612) has the molecular formula C16H15F2NO5S2 and a molecular weight of 403.43 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
PubChem CID34141612
Molecular FormulaC16H15F2NO5S2
Molecular Weight403.43 g/mol
Exact Mass403.04
IUPAC Name4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H15F2NO5S2/c17-16(18)25(20,21)13-5-7-14(8-6-13)26(22,23)19-10-12-9-11-3-1-2-4-15(11)24-12/h1-8,12,16,19H,9-10H2/t12-/m1/s1
InChIKeyRQSRXQDYLRQWON-GFCCVEGCSA-N
XLogP1.96
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 34143437
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide
CID 47954952
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138042840
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55627727
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide
CID 61252197
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 34142954
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 55627703
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 34143143
4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide
CID 106014991
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61045608
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide
CID 63978130

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide (CID 34141612) is 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide?
The InChIKey is RQSRXQDYLRQWON-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15F2NO5S2/c17-16(18)25(20,21)13-5-7-14(8-6-13)26(22,23)19-10-12-9-11-3-1-2-4-15(11)24-12/h1-8,12,16,19H,9-10H2/t12-/m1/s1.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide?
4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide has a molecular weight of 403.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 34141612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).