N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide

C15H20N2O2S3 — CID 142682357

IUPACN-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
SMILESCCSc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1
InChIInChI=1S/C15H20N2O2S3/c1-2-20-15-16-13-9-8-12(10-14(13)21-15)22(18,19)17-11-6-4-3-5-7-11/h8-11,17H,2-7H2,1H3
InChIKeyCZYCLNMGEUATGC-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.02
Rot. Bonds5

About N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide

N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide (PubChem CID 142682357) has the molecular formula C15H20N2O2S3 and a molecular weight of 356.54 g/mol. Its IUPAC name is N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
PubChem CID142682357
Molecular FormulaC15H20N2O2S3
Molecular Weight356.54 g/mol
Exact Mass356.07
IUPAC NameN-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
SMILESCCSc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1
InChIInChI=1S/C15H20N2O2S3/c1-2-20-15-16-13-9-8-12(10-14(13)21-15)22(18,19)17-11-6-4-3-5-7-11/h8-11,17H,2-7H2,1H3
InChIKeyCZYCLNMGEUATGC-UHFFFAOYSA-N
XLogP4.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 142682269
N-[2,6-di(propan-2-yl)phenyl]-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682262
2-ethylsulfanyl-N-(3-methylbutyl)-1,3-benzothiazole-6-sulfonamide
CID 142682349
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 50840019
N-[2-(3-chlorophenyl)ethyl]-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682318
N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide
CID 169226580
(2R)-3-methyl-2-[(2-propylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid
CID 10200307
2-ethylsulfanyl-6-methyl-1,3-benzothiazole
CID 119093087
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-cyclobutyl-2-(ethylamino)quinoline-6-sulfonamide
CID 62415031
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide (CID 142682357) is N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide is CCSc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1.
What is the InChIKey of N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is CZYCLNMGEUATGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S3/c1-2-20-15-16-13-9-8-12(10-14(13)21-15)22(18,19)17-11-6-4-3-5-7-11/h8-11,17H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide?
N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 356.54 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 142682357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).