2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide

C23H24F2N2O4S2 — CID 20934643

IUPAC2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2cc(CN3CCOCC3)cs2)S(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H24F2N2O4S2/c1-30-20-5-3-19(4-6-20)27(33(28,29)23-7-2-18(24)13-22(23)25)15-21-12-17(16-32-21)14-26-8-10-31-11-9-26/h2-7,12-13,16H,8-11,14-15H2,1H3
InChIKeyRXDIUBJWSYEASF-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.26
Rot. Bonds8

About 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide

2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 20934643) has the molecular formula C23H24F2N2O4S2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID20934643
Molecular FormulaC23H24F2N2O4S2
Molecular Weight494.59 g/mol
Exact Mass494.11
IUPAC Name2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2cc(CN3CCOCC3)cs2)S(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H24F2N2O4S2/c1-30-20-5-3-19(4-6-20)27(33(28,29)23-7-2-18(24)13-22(23)25)15-21-12-17(16-32-21)14-26-8-10-31-11-9-26/h2-7,12-13,16H,8-11,14-15H2,1H3
InChIKeyRXDIUBJWSYEASF-UHFFFAOYSA-N
XLogP4.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-4-methoxy-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934660
N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934635
N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 46335552
N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 32681303
N-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934648
N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022824
2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4787927
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-(4-acetylphenyl)-N-[(4-methoxyphenyl)methyl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
CID 58896323
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
2,6-difluoro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9301888

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 20934643) is 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is COc1ccc(N(Cc2cc(CN3CCOCC3)cs2)S(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is RXDIUBJWSYEASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O4S2/c1-30-20-5-3-19(4-6-20)27(33(28,29)23-7-2-18(24)13-22(23)25)15-21-12-17(16-32-21)14-26-8-10-31-11-9-26/h2-7,12-13,16H,8-11,14-15H2,1H3.
What are the key properties of 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 494.59 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 20934643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).