N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide

C11H10N4O3S — CID 54937098

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cn[nH]c3)ccc2o1
InChIInChI=1S/C11H10N4O3S/c1-7-14-10-4-8(2-3-11(10)18-7)15-19(16,17)9-5-12-13-6-9/h2-6,15H,1H3,(H,12,13)
InChIKeyDFYQJIKQEAWBBF-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.66
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide

N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 54937098) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
PubChem CID54937098
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cn[nH]c3)ccc2o1
InChIInChI=1S/C11H10N4O3S/c1-7-14-10-4-8(2-3-11(10)18-7)15-19(16,17)9-5-12-13-6-9/h2-6,15H,1H3,(H,12,13)
InChIKeyDFYQJIKQEAWBBF-UHFFFAOYSA-N
XLogP1.66
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 61274454
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 110760591
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 9240243
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449
N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide
CID 75446319
2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide
CID 19993455
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide (CID 54937098) is N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide is Cc1nc2cc(NS(=O)(=O)c3cn[nH]c3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DFYQJIKQEAWBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-7-14-10-4-8(2-3-11(10)18-7)15-19(16,17)9-5-12-13-6-9/h2-6,15H,1H3,(H,12,13).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 278.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54937098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).