2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C16H21N3O3S — CID 11099739

IUPAC2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(N)c2)o1
InChIInChI=1S/C16H21N3O3S/c1-10-19-15(11-5-3-2-4-6-11)16(22-10)12-7-8-14(13(17)9-12)23(18,20)21/h7-9,11H,2-6,17H2,1H3,(H2,18,20,21)
InChIKeyIDLFBMFWDHHXSC-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.93
Rot. Bonds3

About 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 11099739) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID11099739
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(N)c2)o1
InChIInChI=1S/C16H21N3O3S/c1-10-19-15(11-5-3-2-4-6-11)16(22-10)12-7-8-14(13(17)9-12)23(18,20)21/h7-9,11H,2-6,17H2,1H3,(H2,18,20,21)
InChIKeyIDLFBMFWDHHXSC-UHFFFAOYSA-N
XLogP2.93
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Tilmacoxib
CID 159271
4-Cyclohexyl-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 9861854
Benzenesulfonamide,4-(4-cyclohexyl-2-methyl-5-oxazolyl)-
CID 9861888
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-phenyl-oxazole
CID 10041271
4-[4-(4-Fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 10936484
2-Fluoro-4-[4-(4-fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 11068088
4-Cyclohexyl-2-ethyl-5-(4-methanesulfonyl-phenyl)-oxazole
CID 15429218
4-Cycloheptyl-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 15429222
N-(3-acetylphenyl)-4-(2-cyclopropyl-5-oxazolyl)benzenesulfonamide
CID 20959088
N-[4-(3-Benzooxazol-2-yl-phenylsulfamoyl)-phenyl]-acetamide
CID 1107661
N-[4-({[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]amino}sulfonyl)phenyl]acetamide
CID 2231689
4-(4-Cyclohexyl-2-ethyl-oxazol-5-yl)-2-fluoro-benzenesulfonamide
CID 10937079

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 11099739) is 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(N)c2)o1.
What is the InChIKey of 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is IDLFBMFWDHHXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10-19-15(11-5-3-2-4-6-11)16(22-10)12-7-8-14(13(17)9-12)23(18,20)21/h7-9,11H,2-6,17H2,1H3,(H2,18,20,21).
What are the key properties of 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 11099739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).