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

C16H16BrClN2O3S — CID 100783711

IUPAC(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)N[C@@H](CC(=O)Nc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-24(22,23)20-15(11-5-7-13(18)8-6-11)10-16(21)19-14-4-2-3-12(17)9-14/h2-9,15,20H,10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyJOQRKHOVPQDOMG-HNNXBMFYSA-N
MW431.74 g/mol
LogP3.72
Rot. Bonds6

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

(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 100783711) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is (3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID100783711
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC Name(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)N[C@@H](CC(=O)Nc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-24(22,23)20-15(11-5-7-13(18)8-6-11)10-16(21)19-14-4-2-3-12(17)9-14/h2-9,15,20H,10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyJOQRKHOVPQDOMG-HNNXBMFYSA-N
XLogP3.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255156
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide
CID 133255321
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-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 50740235
N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255165

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of (3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (CID 100783711) is (3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for (3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for (3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is CS(=O)(=O)N[C@@H](CC(=O)Nc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is JOQRKHOVPQDOMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c1-24(22,23)20-15(11-5-7-13(18)8-6-11)10-16(21)19-14-4-2-3-12(17)9-14/h2-9,15,20H,10H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 431.74 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 100783711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).