4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C22H23F2N3O3S2 — CID 3359754

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)cc(F)c3n2C)cc1
InChIInChI=1S/C22H23F2N3O3S2/c1-26-20-18(24)12-15(23)13-19(20)31-22(26)25-21(28)14-8-10-17(11-9-14)32(29,30)27(2)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3/b25-22-
InChIKeyNRARQBGCJIMWRK-LVWGJNHUSA-N
MW479.57 g/mol
LogP4.21
Rot. Bonds4

About 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 3359754) has the molecular formula C22H23F2N3O3S2 and a molecular weight of 479.57 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID3359754
Molecular FormulaC22H23F2N3O3S2
Molecular Weight479.57 g/mol
Exact Mass479.11
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)cc(F)c3n2C)cc1
InChIInChI=1S/C22H23F2N3O3S2/c1-26-20-18(24)12-15(23)13-19(20)31-22(26)25-21(28)14-8-10-17(11-9-14)32(29,30)27(2)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3/b25-22-
InChIKeyNRARQBGCJIMWRK-LVWGJNHUSA-N
XLogP4.21
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4609685
N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 43947397
4-[cyclohexyl(methyl)sulfamoyl]-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984936
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5087246
4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3491430
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151023
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947402
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 2151033
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885597
4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 5112689
methyl 2-[2-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 43942272
4-[cyclohexyl(methyl)sulfamoyl]-N-(7-propyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 43978816

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 3359754) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)cc(F)c3n2C)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is NRARQBGCJIMWRK-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H23F2N3O3S2/c1-26-20-18(24)12-15(23)13-19(20)31-22(26)25-21(28)14-8-10-17(11-9-14)32(29,30)27(2)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3/b25-22-.
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 479.57 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 3359754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).