5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide

C10H14ClN5O2S — CID 35311783

IUPAC5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H14ClN5O2S/c1-14-7-12-10(9(14)11)19(17,18)16(3)6-8-4-13-15(2)5-8/h4-5,7H,6H2,1-3H3
InChIKeyDTRWNSRBYMAUBV-UHFFFAOYSA-N
MW303.78 g/mol
LogP0.63
Rot. Bonds4

About 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide

5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide (PubChem CID 35311783) has the molecular formula C10H14ClN5O2S and a molecular weight of 303.78 g/mol. Its IUPAC name is 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide
PubChem CID35311783
Molecular FormulaC10H14ClN5O2S
Molecular Weight303.78 g/mol
Exact Mass303.06
IUPAC Name5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H14ClN5O2S/c1-14-7-12-10(9(14)11)19(17,18)16(3)6-8-4-13-15(2)5-8/h4-5,7H,6H2,1-3H3
InChIKeyDTRWNSRBYMAUBV-UHFFFAOYSA-N
XLogP0.63
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide (CID 35311783) is 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide is CN(Cc1cnn(C)c1)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is DTRWNSRBYMAUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2S/c1-14-7-12-10(9(14)11)19(17,18)16(3)6-8-4-13-15(2)5-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide?
5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 303.78 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 35311783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).