2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole

C11H12N4O6S3 — CID 3288705

IUPAC2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
SMILESCN(C)S(=O)(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C11H12N4O6S3/c1-14(2)24(20,21)13-11-12-7-10(22-11)23(18,19)9-5-3-8(4-6-9)15(16)17/h3-7H,1-2H3,(H,12,13)
InChIKeyRWSRVAWBUPXRAS-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.10
Rot. Bonds6

About 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole

2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole (PubChem CID 3288705) has the molecular formula C11H12N4O6S3 and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
PubChem CID3288705
Molecular FormulaC11H12N4O6S3
Molecular Weight392.44 g/mol
Exact Mass391.99
IUPAC Name2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
SMILESCN(C)S(=O)(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C11H12N4O6S3/c1-14(2)24(20,21)13-11-12-7-10(22-11)23(18,19)9-5-3-8(4-6-9)15(16)17/h3-7H,1-2H3,(H,12,13)
InChIKeyRWSRVAWBUPXRAS-UHFFFAOYSA-N
XLogP1.10
TPSA139.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
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

2,5-dimethyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 25331203
2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide
CID 3542122
2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
CID 20795960
2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 5157232
[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 23936280
N-[1,1,1,3,3,3-hexafluoro-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propan-2-yl]acetamide
CID 5070068
2,5-dimethyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
CID 2486533
2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 2269968
4-methyl-3-nitro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
CID 4266269
3-(4-methylphenyl)sulfonyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide
CID 18573135
2-(4-chlorophenyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 2202172
4-benzoyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
CID 2318937

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole (CID 3288705) is 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole is CN(C)S(=O)(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole?
The InChIKey is RWSRVAWBUPXRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O6S3/c1-14(2)24(20,21)13-11-12-7-10(22-11)23(18,19)9-5-3-8(4-6-9)15(16)17/h3-7H,1-2H3,(H,12,13).
What are the key properties of 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole?
2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole has a molecular weight of 392.44 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 3288705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).