(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane

C31H31Cl2FN2O3S — CID 158926383

IUPAC(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane
SMILESC.C[C@H](C(=O)NCCC(c1ccccc1)c1ccccc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C30H27Cl2FN2O3S.CH4/c1-21(30(36)34-19-18-27(22-8-4-2-5-9-22)23-10-6-3-7-11-23)35(29-20-25(32)14-17-28(29)33)39(37,38)26-15-12-24(31)13-16-26;/h2-17,20-21,27H,18-19H2,1H3,(H,34,36);1H4/t21-;/m1./s1
InChIKeyJIMNALHNEOQJGJ-ZMBIFBSDSA-N
MW601.57 g/mol
LogP7.69
Rot. Bonds10

About (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane

(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane (PubChem CID 158926383) has the molecular formula C31H31Cl2FN2O3S and a molecular weight of 601.57 g/mol. Its IUPAC name is (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane.

Molecular Properties

Compound Name(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane
PubChem CID158926383
Molecular FormulaC31H31Cl2FN2O3S
Molecular Weight601.57 g/mol
Exact Mass600.14
IUPAC Name(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane
SMILESC.C[C@H](C(=O)NCCC(c1ccccc1)c1ccccc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C30H27Cl2FN2O3S.CH4/c1-21(30(36)34-19-18-27(22-8-4-2-5-9-22)23-10-6-3-7-11-23)35(29-20-25(32)14-17-28(29)33)39(37,38)26-15-12-24(31)13-16-26;/h2-17,20-21,27H,18-19H2,1H3,(H,34,36);1H4/t21-;/m1./s1
InChIKeyJIMNALHNEOQJGJ-ZMBIFBSDSA-N
XLogP7.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.57
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-butyl-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanamide;methane
CID 157477834
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 23401815
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 22275752
2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide
CID 142014288
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 22275637
(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide
CID 91551912
N-(4-aminobutan-2-yl)-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 22276002
[(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propyl] N-[3-(tetrazol-1-yl)propyl]carbamate;methane
CID 161186653
[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenyl]methyl N-(2-methoxyethyl)carbamate
CID 159598782
4-chloro-N-(2,5-difluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 57031982
4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 22275591
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane?
The IUPAC name of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane (CID 158926383) is (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane.
What is the SMILES notation for (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane?
The canonical SMILES for (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane is C.C[C@H](C(=O)NCCC(c1ccccc1)c1ccccc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane?
The InChIKey is JIMNALHNEOQJGJ-ZMBIFBSDSA-N. The full InChI is InChI=1S/C30H27Cl2FN2O3S.CH4/c1-21(30(36)34-19-18-27(22-8-4-2-5-9-22)23-10-6-3-7-11-23)35(29-20-25(32)14-17-28(29)33)39(37,38)26-15-12-24(31)13-16-26;/h2-17,20-21,27H,18-19H2,1H3,(H,34,36);1H4/t21-;/m1./s1.
What are the key properties of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane?
(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane has a molecular weight of 601.57 g/mol, XLogP of 7.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane is sourced from PubChem (CID 158926383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).