(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide

C24H21Cl2FN4O3S2 — CID 91551912

IUPAC(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(C2CSN=N2)cc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21Cl2FN4O3S2/c1-15(24(32)28-13-16-2-4-17(5-3-16)22-14-35-30-29-22)31(23-12-19(26)8-11-21(23)27)36(33,34)20-9-6-18(25)7-10-20/h2-12,15,22H,13-14H2,1H3,(H,28,32)/t15-,22?/m1/s1
InChIKeyNMMOJDSWZYVJBZ-JGHKVMFLSA-N
MW567.50 g/mol
LogP6.19
Rot. Bonds8

About (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide

(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide (PubChem CID 91551912) has the molecular formula C24H21Cl2FN4O3S2 and a molecular weight of 567.50 g/mol. Its IUPAC name is (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide
PubChem CID91551912
Molecular FormulaC24H21Cl2FN4O3S2
Molecular Weight567.50 g/mol
Exact Mass566.04
IUPAC Name(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(C2CSN=N2)cc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21Cl2FN4O3S2/c1-15(24(32)28-13-16-2-4-17(5-3-16)22-14-35-30-29-22)31(23-12-19(26)8-11-21(23)27)36(33,34)20-9-6-18(25)7-10-20/h2-12,15,22H,13-14H2,1H3,(H,28,32)/t15-,22?/m1/s1
InChIKeyNMMOJDSWZYVJBZ-JGHKVMFLSA-N
XLogP6.19
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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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-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide
CID 142014288
(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane
CID 158926383
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 22275752
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 22275637
(2S)-N-[(4-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131911
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CID 92646323
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CID 124561170
N-(4-aminobutan-2-yl)-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 22276002
3-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 87986552
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide (CID 91551912) is (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide is C[C@H](C(=O)NCc1ccc(C2CSN=N2)cc1)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-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide?
The InChIKey is NMMOJDSWZYVJBZ-JGHKVMFLSA-N. The full InChI is InChI=1S/C24H21Cl2FN4O3S2/c1-15(24(32)28-13-16-2-4-17(5-3-16)22-14-35-30-29-22)31(23-12-19(26)8-11-21(23)27)36(33,34)20-9-6-18(25)7-10-20/h2-12,15,22H,13-14H2,1H3,(H,28,32)/t15-,22?/m1/s1.
What are the key properties of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide?
(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide has a molecular weight of 567.50 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 91551912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).