3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide

C14H12Cl2N2O5S — CID 100514963

IUPAC3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O5S/c1-17(13-7-9(18(19)20)3-5-11(13)15)24(21,22)10-4-6-14(23-2)12(16)8-10/h3-8H,1-2H3
InChIKeyHTYIUJIUUPHDPY-UHFFFAOYSA-N
MW391.23 g/mol
LogP3.74
Rot. Bonds5

About 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide

3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 100514963) has the molecular formula C14H12Cl2N2O5S and a molecular weight of 391.23 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID100514963
Molecular FormulaC14H12Cl2N2O5S
Molecular Weight391.23 g/mol
Exact Mass389.98
IUPAC Name3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O5S/c1-17(13-7-9(18(19)20)3-5-11(13)15)24(21,22)10-4-6-14(23-2)12(16)8-10/h3-8H,1-2H3
InChIKeyHTYIUJIUUPHDPY-UHFFFAOYSA-N
XLogP3.74
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-4-methoxy-N-(2-methoxy-5-nitrophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100513696
(2-chloro-4-nitrophenyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 71904115
3-chloro-4-methoxy-N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 87033023
N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 99628913
ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methyl-5-nitroanilino)acetate
CID 100513871
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
N-(3,4-dimethoxyphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 94919629
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 4679421
(2-chloro-4-nitrophenyl) 3,4-dimethoxybenzenesulfonate
CID 18086401
methyl 3-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-4-methylbenzoate
CID 100513252
3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513954

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide (CID 100514963) is 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is HTYIUJIUUPHDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O5S/c1-17(13-7-9(18(19)20)3-5-11(13)15)24(21,22)10-4-6-14(23-2)12(16)8-10/h3-8H,1-2H3.
What are the key properties of 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide?
3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 391.23 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 100514963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).