5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide

C24H21ClN4O4S — CID 21364258

IUPAC5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1nc(NS(=O)(=O)c2ccc3ccccc3c2)ncc1Cl
InChIInChI=1S/C24H21ClN4O4S/c25-21-14-26-24(29-34(32,33)20-11-10-17-8-4-5-9-18(17)13-20)28-22(21)23(31)27-19(15-30)12-16-6-2-1-3-7-16/h1-11,13-14,19,30H,12,15H2,(H,27,31)(H,26,28,29)/t19-/m0/s1
InChIKeyLLSWMKJIUIQVIS-IBGZPJMESA-N
MW496.98 g/mol
LogP3.42
Rot. Bonds8

About 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide

5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide (PubChem CID 21364258) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide
PubChem CID21364258
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC Name5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1nc(NS(=O)(=O)c2ccc3ccccc3c2)ncc1Cl
InChIInChI=1S/C24H21ClN4O4S/c25-21-14-26-24(29-34(32,33)20-11-10-17-8-4-5-9-18(17)13-20)28-22(21)23(31)27-19(15-30)12-16-6-2-1-3-7-16/h1-11,13-14,19,30H,12,15H2,(H,27,31)(H,26,28,29)/t19-/m0/s1
InChIKeyLLSWMKJIUIQVIS-IBGZPJMESA-N
XLogP3.42
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107860871
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 20666691
2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 22988100
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide (CID 21364258) is 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)c1nc(NS(=O)(=O)c2ccc3ccccc3c2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide?
The InChIKey is LLSWMKJIUIQVIS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c25-21-14-26-24(29-34(32,33)20-11-10-17-8-4-5-9-18(17)13-20)28-22(21)23(31)27-19(15-30)12-16-6-2-1-3-7-16/h1-11,13-14,19,30H,12,15H2,(H,27,31)(H,26,28,29)/t19-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide?
5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide has a molecular weight of 496.98 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 21364258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).