5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide

C9H14ClN3O2S — CID 92861335

IUPAC5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
SMILESC[C@H]1C[C@@H]1CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H14ClN3O2S/c1-6-3-7(6)4-12-16(14,15)9-8(10)13(2)5-11-9/h5-7,12H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyDPLRUCUTCHLKEL-NKWVEPMBSA-N
MW263.75 g/mol
LogP1.01
Rot. Bonds4

About 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide (PubChem CID 92861335) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
PubChem CID92861335
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
SMILESC[C@H]1C[C@@H]1CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H14ClN3O2S/c1-6-3-7(6)4-12-16(14,15)9-8(10)13(2)5-11-9/h5-7,12H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyDPLRUCUTCHLKEL-NKWVEPMBSA-N
XLogP1.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide (CID 92861335) is 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide is C[C@H]1C[C@@H]1CNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide?
The InChIKey is DPLRUCUTCHLKEL-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-6-3-7(6)4-12-16(14,15)9-8(10)13(2)5-11-9/h5-7,12H,3-4H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 92861335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).