5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide

C13H16ClN3O2S — CID 35330359

IUPAC5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide
SMILESC[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C13H16ClN3O2S/c1-10(11-7-5-4-6-8-11)17(3)20(18,19)13-12(14)16(2)9-15-13/h4-10H,1-3H3/t10-/m0/s1
InChIKeyQDJKRRKBZDLOHB-JTQLQIEISA-N
MW313.81 g/mol
LogP2.46
Rot. Bonds4

About 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide

5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide (PubChem CID 35330359) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide
PubChem CID35330359
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide
SMILESC[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C13H16ClN3O2S/c1-10(11-7-5-4-6-8-11)17(3)20(18,19)13-12(14)16(2)9-15-13/h4-10H,1-3H3/t10-/m0/s1
InChIKeyQDJKRRKBZDLOHB-JTQLQIEISA-N
XLogP2.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide (CID 35330359) is 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide is C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide?
The InChIKey is QDJKRRKBZDLOHB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-10(11-7-5-4-6-8-11)17(3)20(18,19)13-12(14)16(2)9-15-13/h4-10H,1-3H3/t10-/m0/s1.
What are the key properties of 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide?
5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,1-dimethyl-N-[(1S)-1-phenylethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 35330359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).