N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide

C20H15F2NO4S2 — CID 122194415

IUPACN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C20H15F2NO4S2/c21-14-6-7-15(24)19(22)18(14)20(25)17-9-8-16(28-17)11-2-1-3-12(10-11)23-29(26,27)13-4-5-13/h1-3,6-10,13,23-24H,4-5H2
InChIKeyNHHPAMOIGPIXHF-UHFFFAOYSA-N
MW435.47 g/mol
LogP4.53
Rot. Bonds6

About N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide

N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide (PubChem CID 122194415) has the molecular formula C20H15F2NO4S2 and a molecular weight of 435.47 g/mol. Its IUPAC name is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide
PubChem CID122194415
Molecular FormulaC20H15F2NO4S2
Molecular Weight435.47 g/mol
Exact Mass435.04
IUPAC NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C20H15F2NO4S2/c21-14-6-7-15(24)19(22)18(14)20(25)17-9-8-16(28-17)11-2-1-3-12(10-11)23-29(26,27)13-4-5-13/h1-3,6-10,13,23-24H,4-5H2
InChIKeyNHHPAMOIGPIXHF-UHFFFAOYSA-N
XLogP4.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

17ss-HSD2 inhibitor 24
CID 139030522
4-methyl-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155526302
3-chloro-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155530633
2-cyano-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155531966
N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide
CID 155538884
3-methyl-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155545568
4-chloro-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155553373
4-fluoro-N-[2-methyl-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155558001
N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 56928979
N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 122194303
[5-(3-Aminophenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122194409
N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122194411

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide (CID 122194415) is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide is O=C(c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)s1)c1c(F)ccc(O)c1F.
What is the InChIKey of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is NHHPAMOIGPIXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4S2/c21-14-6-7-15(24)19(22)18(14)20(25)17-9-8-16(28-17)11-2-1-3-12(10-11)23-29(26,27)13-4-5-13/h1-3,6-10,13,23-24H,4-5H2.
What are the key properties of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide?
N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 435.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 122194415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).