(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide

C16H16Cl2N2O3S — CID 100783701

IUPAC(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)N[C@@H](CC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-24(22,23)20-15(11-6-8-12(17)9-7-11)10-16(21)19-14-5-3-2-4-13(14)18/h2-9,15,20H,10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyPFTCQEUYVNOZGN-HNNXBMFYSA-N
MW387.29 g/mol
LogP3.61
Rot. Bonds6

About (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide

(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 100783701) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID100783701
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)N[C@@H](CC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-24(22,23)20-15(11-6-8-12(17)9-7-11)10-16(21)19-14-5-3-2-4-13(14)18/h2-9,15,20H,10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyPFTCQEUYVNOZGN-HNNXBMFYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783711
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263
(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783863
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 133255349
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 100783987

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (CID 100783701) is (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is CS(=O)(=O)N[C@@H](CC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is PFTCQEUYVNOZGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-24(22,23)20-15(11-6-8-12(17)9-7-11)10-16(21)19-14-5-3-2-4-13(14)18/h2-9,15,20H,10H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 387.29 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 100783701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).