4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide

C14H16ClN3O5S2 — CID 71945594

IUPAC4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NN
InChIInChI=1S/C14H16ClN3O5S2/c1-18(25(21,22)12-6-3-10(15)4-7-12)11-5-8-13(23-2)14(9-11)24(19,20)17-16/h3-9,17H,16H2,1-2H3
InChIKeyPSDNRYHNAZIMMY-UHFFFAOYSA-N
MW405.89 g/mol
LogP1.33
Rot. Bonds6

About 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide

4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide (PubChem CID 71945594) has the molecular formula C14H16ClN3O5S2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide
PubChem CID71945594
Molecular FormulaC14H16ClN3O5S2
Molecular Weight405.89 g/mol
Exact Mass405.02
IUPAC Name4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NN
InChIInChI=1S/C14H16ClN3O5S2/c1-18(25(21,22)12-6-3-10(15)4-7-12)11-5-8-13(23-2)14(9-11)24(19,20)17-16/h3-9,17H,16H2,1-2H3
InChIKeyPSDNRYHNAZIMMY-UHFFFAOYSA-N
XLogP1.33
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
CID 71945709
CID 70601990
CID 70601990
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
4-chloro-N-(2,4-dimethoxyphenyl)-N-methylbenzenesulfonamide
CID 99635932
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 71945704
N-(3,4-dimethoxyphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189865
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513954

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide (CID 71945594) is 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NN.
What is the InChIKey of 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide?
The InChIKey is PSDNRYHNAZIMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O5S2/c1-18(25(21,22)12-6-3-10(15)4-7-12)11-5-8-13(23-2)14(9-11)24(19,20)17-16/h3-9,17H,16H2,1-2H3.
What are the key properties of 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide?
4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide has a molecular weight of 405.89 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 71945594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).