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

C13H12N4O3S — CID 102692573

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1ccn[nH]1
InChIInChI=1S/C13H12N4O3S/c18-21(19,12-5-6-14-16-12)17-9-3-4-11-10(7-9)15-13(20-11)8-1-2-8/h3-8,17H,1-2H2,(H,14,16)
InChIKeyLJPOZQZSIYTBNS-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.23
Rot. Bonds4

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

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692573) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102692573
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1ccn[nH]1
InChIInChI=1S/C13H12N4O3S/c18-21(19,12-5-6-14-16-12)17-9-3-4-11-10(7-9)15-13(20-11)8-1-2-8/h3-8,17H,1-2H2,(H,14,16)
InChIKeyLJPOZQZSIYTBNS-UHFFFAOYSA-N
XLogP2.23
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-bromo-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 83084989
2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 60972062
3-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpropane-1-sulfonamide
CID 79557016
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81251766
2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
CID 43686399
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
CID 47924751
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide (CID 102692573) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1ccn[nH]1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is LJPOZQZSIYTBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c18-21(19,12-5-6-14-16-12)17-9-3-4-11-10(7-9)15-13(20-11)8-1-2-8/h3-8,17H,1-2H2,(H,14,16).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).