N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide

C20H20ClN3O3S2 — CID 16831189

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C20H20ClN3O3S2/c1-24(14-5-2-3-6-14)29(26,27)15-11-9-13(10-12-15)19(25)23-20-22-18-16(21)7-4-8-17(18)28-20/h4,7-12,14H,2-3,5-6H2,1H3,(H,22,23,25)
InChIKeyCCWNXKITTYQREM-UHFFFAOYSA-N
MW449.99 g/mol
LogP4.77
Rot. Bonds5

About N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide

N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide (PubChem CID 16831189) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
PubChem CID16831189
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C20H20ClN3O3S2/c1-24(14-5-2-3-6-14)29(26,27)15-11-9-13(10-12-15)19(25)23-20-22-18-16(21)7-4-8-17(18)28-20/h4,7-12,14H,2-3,5-6H2,1H3,(H,22,23,25)
InChIKeyCCWNXKITTYQREM-UHFFFAOYSA-N
XLogP4.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43947275
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 43947389
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7565735
4-[cyclohexyl(ethyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 16831380
4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 43947317
4-[cyclopentyl(methyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 18584056
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 43947289
4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41364346
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2159265

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide (CID 16831189) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide is CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
The InChIKey is CCWNXKITTYQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c1-24(14-5-2-3-6-14)29(26,27)15-11-9-13(10-12-15)19(25)23-20-22-18-16(21)7-4-8-17(18)28-20/h4,7-12,14H,2-3,5-6H2,1H3,(H,22,23,25).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide has a molecular weight of 449.99 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 16831189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).