N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide

C10H12N4O2S — CID 55214521

IUPACN-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H12N4O2S/c1-11-8-4-2-3-5-9(8)17(15,16)14-10-12-6-7-13-10/h2-7,11H,1H3,(H2,12,13,14)
InChIKeyWSLRGTZXDWYJEE-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.25
Rot. Bonds4

About N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide

N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide (PubChem CID 55214521) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide
PubChem CID55214521
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H12N4O2S/c1-11-8-4-2-3-5-9(8)17(15,16)14-10-12-6-7-13-10/h2-7,11H,1H3,(H2,12,13,14)
InChIKeyWSLRGTZXDWYJEE-UHFFFAOYSA-N
XLogP1.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide (CID 55214521) is N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide?
The InChIKey is WSLRGTZXDWYJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-11-8-4-2-3-5-9(8)17(15,16)14-10-12-6-7-13-10/h2-7,11H,1H3,(H2,12,13,14).
What are the key properties of N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide?
N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 55214521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).