N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide

C10H12N4O3S — CID 21357771

IUPACN-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1-c1nnc(N)o1
InChIInChI=1S/C10H12N4O3S/c1-6-3-4-7(14-18(2,15)16)5-8(6)9-12-13-10(11)17-9/h3-5,14H,1-2H3,(H2,11,13)
InChIKeyUUWXGGGLQYOEBA-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.00
Rot. Bonds3

About N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide

N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide (PubChem CID 21357771) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide
PubChem CID21357771
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC NameN-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1-c1nnc(N)o1
InChIInChI=1S/C10H12N4O3S/c1-6-3-4-7(14-18(2,15)16)5-8(6)9-12-13-10(11)17-9/h3-5,14H,1-2H3,(H2,11,13)
InChIKeyUUWXGGGLQYOEBA-UHFFFAOYSA-N
XLogP1.00
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 49754
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CID 165387764
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CID 90940240
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CID 133080664
CID 133080664
CID 6457459
CID 6457459
CID 10100918
CID 10100918
CID 12354171
CID 12354171
CID 20115634
CID 20115634
CID 28720202
CID 28720202
CID 39238145
CID 39238145
CID 43617312
CID 43617312

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide?
The IUPAC name of N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide (CID 21357771) is N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide is Cc1ccc(NS(C)(=O)=O)cc1-c1nnc(N)o1.
What is the InChIKey of N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide?
The InChIKey is UUWXGGGLQYOEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-6-3-4-7(14-18(2,15)16)5-8(6)9-12-13-10(11)17-9/h3-5,14H,1-2H3,(H2,11,13).
What are the key properties of N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide?
N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide has a molecular weight of 268.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 21357771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).