2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide

C10H7Cl2N3O4S2 — CID 61051495

IUPAC2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7Cl2N3O4S2/c1-5-9(20-10(12)13-5)21(18,19)14-6-2-3-7(11)8(4-6)15(16)17/h2-4,14H,1H3
InChIKeyBREVJUNDHQAPFX-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61051495) has the molecular formula C10H7Cl2N3O4S2 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61051495
Molecular FormulaC10H7Cl2N3O4S2
Molecular Weight368.22 g/mol
Exact Mass366.93
IUPAC Name2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7Cl2N3O4S2/c1-5-9(20-10(12)13-5)21(18,19)14-6-2-3-7(11)8(4-6)15(16)17/h2-4,14H,1H3
InChIKeyBREVJUNDHQAPFX-UHFFFAOYSA-N
XLogP3.47
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.47
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

N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 79240768
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 115376859
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 43415353
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 62908053
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775112
2-chloro-N-(2,6-dichloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 61051495) is 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is BREVJUNDHQAPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O4S2/c1-5-9(20-10(12)13-5)21(18,19)14-6-2-3-7(11)8(4-6)15(16)17/h2-4,14H,1H3.
What are the key properties of 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 368.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).