N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide

C23H21F3N2O4S2 — CID 58133117

IUPACN-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc(Cc2c(NS(=O)(=O)C3CC3)ccc(F)c2F)c(F)c1
InChIInChI=1S/C23H21F3N2O4S2/c1-33(29,30)27-21-5-3-2-4-17(21)14-6-7-15(20(25)13-14)12-18-22(11-10-19(24)23(18)26)28-34(31,32)16-8-9-16/h2-7,10-11,13,16,27-28H,8-9,12H2,1H3
InChIKeyKXFRUNSLSQDZOO-UHFFFAOYSA-N
MW510.56 g/mol
LogP4.64
Rot. Bonds8

About N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide

N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide (PubChem CID 58133117) has the molecular formula C23H21F3N2O4S2 and a molecular weight of 510.56 g/mol. Its IUPAC name is N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide
PubChem CID58133117
Molecular FormulaC23H21F3N2O4S2
Molecular Weight510.56 g/mol
Exact Mass510.09
IUPAC NameN-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc(Cc2c(NS(=O)(=O)C3CC3)ccc(F)c2F)c(F)c1
InChIInChI=1S/C23H21F3N2O4S2/c1-33(29,30)27-21-5-3-2-4-17(21)14-6-7-15(20(25)13-14)12-18-22(11-10-19(24)23(18)26)28-34(31,32)16-8-9-16/h2-7,10-11,13,16,27-28H,8-9,12H2,1H3
InChIKeyKXFRUNSLSQDZOO-UHFFFAOYSA-N
XLogP4.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-difluoro-2-[(2-fluoro-4-methylphenyl)methyl]phenyl]methanesulfonamide
CID 160737996
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]piperidine-4-sulfonamide
CID 58133055
N-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzoxazol-6-yl]cyclopropanesulfonamide
CID 158457810
N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
CID 90313538
N-[2-[4-(4-aminophenyl)-2-fluoroanilino]-3,4-difluorophenyl]cyclopropanesulfonamide
CID 89144911
N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide
CID 59636578
N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide
CID 59386340
N-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]cyclopropanesulfonamide
CID 42623685
N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide
CID 146520586
N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide
CID 160803006
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-4-methoxycyclohexane-1-sulfonamide
CID 167484153

Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide (CID 58133117) is N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1ccc(Cc2c(NS(=O)(=O)C3CC3)ccc(F)c2F)c(F)c1.
What is the InChIKey of N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide?
The InChIKey is KXFRUNSLSQDZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4S2/c1-33(29,30)27-21-5-3-2-4-17(21)14-6-7-15(20(25)13-14)12-18-22(11-10-19(24)23(18)26)28-34(31,32)16-8-9-16/h2-7,10-11,13,16,27-28H,8-9,12H2,1H3.
What are the key properties of N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide?
N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide has a molecular weight of 510.56 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 58133117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).