N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide

C15H12N4O3S — CID 110760607

IUPACN-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)ccc2o1
InChIInChI=1S/C15H12N4O3S/c1-9-17-14-7-12(4-5-15(14)22-9)23(20,21)19-11-3-2-10-8-16-18-13(10)6-11/h2-8,19H,1H3,(H,16,18)
InChIKeyMMKKKJVEDQFJEH-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.81
Rot. Bonds3

About N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide

N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760607) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
PubChem CID110760607
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC NameN-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)ccc2o1
InChIInChI=1S/C15H12N4O3S/c1-9-17-14-7-12(4-5-15(14)22-9)23(20,21)19-11-3-2-10-8-16-18-13(10)6-11/h2-8,19H,1H3,(H,16,18)
InChIKeyMMKKKJVEDQFJEH-UHFFFAOYSA-N
XLogP2.81
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760854
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 54937098
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 110760591
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 9240243
N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 110757572

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide (CID 110760607) is N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)ccc2o1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is MMKKKJVEDQFJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-9-17-14-7-12(4-5-15(14)22-9)23(20,21)19-11-3-2-10-8-16-18-13(10)6-11/h2-8,19H,1H3,(H,16,18).
What are the key properties of N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide?
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 328.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).