2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide

C18H19FN2O4S — CID 126804393

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide
SMILESCN(c1c(F)cccc1C(N)=O)S(=O)(=O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H19FN2O4S/c1-18(2)10-11-6-4-9-14(16(11)25-18)26(23,24)21(3)15-12(17(20)22)7-5-8-13(15)19/h4-9H,10H2,1-3H3,(H2,20,22)
InChIKeyJSJVXHGDYAWIQQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.46
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide (PubChem CID 126804393) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide
PubChem CID126804393
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide
SMILESCN(c1c(F)cccc1C(N)=O)S(=O)(=O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H19FN2O4S/c1-18(2)10-11-6-4-9-14(16(11)25-18)26(23,24)21(3)15-12(17(20)22)7-5-8-13(15)19/h4-9H,10H2,1-3H3,(H2,20,22)
InChIKeyJSJVXHGDYAWIQQ-UHFFFAOYSA-N
XLogP2.46
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide
CID 126799663
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide
CID 99836810
2,2-dimethyl-3H-1-benzofuran-4-carboxamide
CID 86668248
2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide
CID 31579746
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-1-methylpiperazin-2-one
CID 99836918
N-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methyl]-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
CID 167881135
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-methylpropanoic acid
CID 65061234
(2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 97158492
N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide
CID 99836946
2,2,4-trimethyl-3H-1-benzofuran-7-carboxamide
CID 4528993

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide (CID 126804393) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide is CN(c1c(F)cccc1C(N)=O)S(=O)(=O)c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide?
The InChIKey is JSJVXHGDYAWIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-18(2)10-11-6-4-9-14(16(11)25-18)26(23,24)21(3)15-12(17(20)22)7-5-8-13(15)19/h4-9H,10H2,1-3H3,(H2,20,22).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide is sourced from PubChem (CID 126804393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).