N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H11ClN4O4S — CID 22775112

IUPACN-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1C
InChIInChI=1S/C11H11ClN4O4S/c1-7-11(6-13-15(7)2)21(19,20)14-8-3-4-9(12)10(5-8)16(17)18/h3-6,14H,1-2H3
InChIKeyGUTVTDFDRPGVDM-UHFFFAOYSA-N
MW330.75 g/mol
LogP2.09
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22775112) has the molecular formula C11H11ClN4O4S and a molecular weight of 330.75 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22775112
Molecular FormulaC11H11ClN4O4S
Molecular Weight330.75 g/mol
Exact Mass330.02
IUPAC NameN-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1C
InChIInChI=1S/C11H11ClN4O4S/c1-7-11(6-13-15(7)2)21(19,20)14-8-3-4-9(12)10(5-8)16(17)18/h3-6,14H,1-2H3
InChIKeyGUTVTDFDRPGVDM-UHFFFAOYSA-N
XLogP2.09
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
CID 22774102
1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide
CID 22203774
5-tert-butyl-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 7940729
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100
N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 24656265
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
CID 19887945
N-(4-chloro-3-nitrophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22775113
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61051495

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 22775112) is N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1C.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is GUTVTDFDRPGVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O4S/c1-7-11(6-13-15(7)2)21(19,20)14-8-3-4-9(12)10(5-8)16(17)18/h3-6,14H,1-2H3.
What are the key properties of N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 330.75 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22775112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).