N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

C15H18N2O3S2 — CID 118732061

IUPACN-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=c1[nH]c(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cs1
InChIInChI=1S/C15H18N2O3S2/c18-15-16-14(10-21-15)11-5-4-8-13(9-11)22(19,20)17-12-6-2-1-3-7-12/h4-5,8-10,12,17H,1-3,6-7H2,(H,16,18)
InChIKeyNSPITMCLSIFHJO-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.71
Rot. Bonds4

About N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 118732061) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID118732061
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=c1[nH]c(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cs1
InChIInChI=1S/C15H18N2O3S2/c18-15-16-14(10-21-15)11-5-4-8-13(9-11)22(19,20)17-12-6-2-1-3-7-12/h4-5,8-10,12,17H,1-3,6-7H2,(H,16,18)
InChIKeyNSPITMCLSIFHJO-UHFFFAOYSA-N
XLogP2.71
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (CID 118732061) is N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is O=c1[nH]c(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cs1.
What is the InChIKey of N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is NSPITMCLSIFHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c18-15-16-14(10-21-15)11-5-4-8-13(9-11)22(19,20)17-12-6-2-1-3-7-12/h4-5,8-10,12,17H,1-3,6-7H2,(H,16,18).
What are the key properties of N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 338.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118732061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).