N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide

C24H20ClFN2O5S2 — CID 10007321

IUPACN-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccc(C(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H20ClFN2O5S2/c1-15(27-34(2,30)31)16-7-9-17(10-8-16)24(29)22-14-18-13-19(25)11-12-21(18)28(22)35(32,33)23-6-4-3-5-20(23)26/h3-15,27H,1-2H3
InChIKeyGWILKFVMKUARKJ-UHFFFAOYSA-N
MW535.02 g/mol
LogP4.51
Rot. Bonds7

About N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide

N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide (PubChem CID 10007321) has the molecular formula C24H20ClFN2O5S2 and a molecular weight of 535.02 g/mol. Its IUPAC name is N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide
PubChem CID10007321
Molecular FormulaC24H20ClFN2O5S2
Molecular Weight535.02 g/mol
Exact Mass534.05
IUPAC NameN-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccc(C(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H20ClFN2O5S2/c1-15(27-34(2,30)31)16-7-9-17(10-8-16)24(29)22-14-18-13-19(25)11-12-21(18)28(22)35(32,33)23-6-4-3-5-20(23)26/h3-15,27H,1-2H3
InChIKeyGWILKFVMKUARKJ-UHFFFAOYSA-N
XLogP4.51
TPSA102.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.02
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56646601
2,2,2-trifluoro-N-[1-[4-[[1-(2-fluorophenyl)sulfonylindol-2-yl]-hydroxymethyl]phenyl]ethyl]acetamide
CID 10006891
2,2,2-trifluoro-N-[(1S)-1-[4-[[1-(2-fluorophenyl)sulfonylindol-2-yl]-hydroxymethyl]phenyl]ethyl]acetamide
CID 58862140
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-[(1S)-1-[4-[(E)-C-[2-(2-fluorophenyl)sulfonyl-4-(trifluoromethoxy)phenyl]-N-hydroxycarbonimidoyl]phenyl]ethyl]methanesulfonamide
CID 58651375
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide
CID 62158447
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
1-[4-[1-[(2-fluoro-5-methylphenyl)sulfonylamino]ethyl]phenyl]-3-phenylurea
CID 55905729
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide (CID 10007321) is N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1ccc(C(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is GWILKFVMKUARKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O5S2/c1-15(27-34(2,30)31)16-7-9-17(10-8-16)24(29)22-14-18-13-19(25)11-12-21(18)28(22)35(32,33)23-6-4-3-5-20(23)26/h3-15,27H,1-2H3.
What are the key properties of N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide?
N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 535.02 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[5-chloro-1-(2-fluorophenyl)sulfonylindole-2-carbonyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 10007321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).