N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide

C14H13ClN4O6S2 — CID 15741049

IUPACN'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide
SMILESO=C(CCCC(=O)NS(=O)(=O)c1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C14H13ClN4O6S2/c15-9-4-6-10(7-5-9)27(24,25)18-12(21)3-1-2-11(20)17-14-16-8-13(26-14)19(22)23/h4-8H,1-3H2,(H,18,21)(H,16,17,20)
InChIKeyQRXSBQAMDPMTOJ-UHFFFAOYSA-N
MW432.87 g/mol
LogP2.32
Rot. Bonds8

About N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide

N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide (PubChem CID 15741049) has the molecular formula C14H13ClN4O6S2 and a molecular weight of 432.87 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide
PubChem CID15741049
Molecular FormulaC14H13ClN4O6S2
Molecular Weight432.87 g/mol
Exact Mass432.00
IUPAC NameN'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide
SMILESO=C(CCCC(=O)NS(=O)(=O)c1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C14H13ClN4O6S2/c15-9-4-6-10(7-5-9)27(24,25)18-12(21)3-1-2-11(20)17-14-16-8-13(26-14)19(22)23/h4-8H,1-3H2,(H,18,21)(H,16,17,20)
InChIKeyQRXSBQAMDPMTOJ-UHFFFAOYSA-N
XLogP2.32
TPSA148.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 2985108
6-[(5-nitro-1,3-thiazol-2-yl)amino]-6-oxohexanoic acid
CID 15741046
3-[(4-methylphenyl)sulfonylamino]-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 17154103
N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide
CID 175100933
sodium 5-nitro-2-[(2-sulfosulfanylacetyl)amino]-1,3-thiazole
CID 126460340
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2973288
2-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3619772
tert-butyl N-[4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 175095293
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
2-(4-chlorophenyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 2202172
tributylstannyl 4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutanoate
CID 139239847
[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 23847407

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide (CID 15741049) is N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide is O=C(CCCC(=O)NS(=O)(=O)c1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide?
The InChIKey is QRXSBQAMDPMTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O6S2/c15-9-4-6-10(7-5-9)27(24,25)18-12(21)3-1-2-11(20)17-14-16-8-13(26-14)19(22)23/h4-8H,1-3H2,(H,18,21)(H,16,17,20).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide?
N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide has a molecular weight of 432.87 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide is sourced from PubChem (CID 15741049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).