2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide

C12H12ClN3O3S — CID 107862764

IUPAC2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1cnc(Cl)nc1
InChIInChI=1S/C12H12ClN3O3S/c13-12-14-6-10(7-15-12)20(18,19)16-11(8-17)9-4-2-1-3-5-9/h1-7,11,16-17H,8H2/t11-/m1/s1
InChIKeyVUDJJNIRKDYFPF-LLVKDONJSA-N
MW313.77 g/mol
LogP1.14
Rot. Bonds5

About 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide

2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide (PubChem CID 107862764) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide
PubChem CID107862764
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1cnc(Cl)nc1
InChIInChI=1S/C12H12ClN3O3S/c13-12-14-6-10(7-15-12)20(18,19)16-11(8-17)9-4-2-1-3-5-9/h1-7,11,16-17H,8H2/t11-/m1/s1
InChIKeyVUDJJNIRKDYFPF-LLVKDONJSA-N
XLogP1.14
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
CID 107862011
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
CID 63182937
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
CID 107863619
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide (CID 107862764) is 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide is O=S(=O)(N[C@H](CO)c1ccccc1)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide?
The InChIKey is VUDJJNIRKDYFPF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c13-12-14-6-10(7-15-12)20(18,19)16-11(8-17)9-4-2-1-3-5-9/h1-7,11,16-17H,8H2/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide?
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide has a molecular weight of 313.77 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 107862764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).