N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine

C10H10ClN3O3S — CID 141363682

IUPACN-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C10H10ClN3O3S/c1-6-7(11)4-3-5-8(6)12-9-13-14-10(17-9)18(2,15)16/h3-5H,1-2H3,(H,12,13)
InChIKeyAZYNUGUTUXXXHI-UHFFFAOYSA-N
MW287.73 g/mol
LogP2.18
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine

N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine (PubChem CID 141363682) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine
PubChem CID141363682
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC NameN-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C10H10ClN3O3S/c1-6-7(11)4-3-5-8(6)12-9-13-14-10(17-9)18(2,15)16/h3-5H,1-2H3,(H,12,13)
InChIKeyAZYNUGUTUXXXHI-UHFFFAOYSA-N
XLogP2.18
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-chloroethyl)-N-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106958965
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106959162
4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027234
6-N-(3-chloro-2-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80763212
1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113047638
CID 59528238
CID 59528238
3-(3-chloro-2-methylanilino)cyclohex-2-en-1-one
CID 888796
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-chloro-6-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 62501422
5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106967337
3-N-(3-chloro-2-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80762804

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine (CID 141363682) is N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine is Cc1c(Cl)cccc1Nc1nnc(S(C)(=O)=O)o1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine?
The InChIKey is AZYNUGUTUXXXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-6-7(11)4-3-5-8(6)12-9-13-14-10(17-9)18(2,15)16/h3-5H,1-2H3,(H,12,13).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine?
N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine has a molecular weight of 287.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-methylsulfonyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 141363682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).