2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide

C10H11ClN2O3S — CID 75505544

IUPAC2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)N(C)CC#N)c1
InChIInChI=1S/C10H11ClN2O3S/c1-13(6-5-12)17(14,15)10-7-8(16-2)3-4-9(10)11/h3-4,7H,6H2,1-2H3
InChIKeyGZLVWUYZSYGTMP-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.49
Rot. Bonds4

About 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide

2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide (PubChem CID 75505544) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide
PubChem CID75505544
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)N(C)CC#N)c1
InChIInChI=1S/C10H11ClN2O3S/c1-13(6-5-12)17(14,15)10-7-8(16-2)3-4-9(10)11/h3-4,7H,6H2,1-2H3
InChIKeyGZLVWUYZSYGTMP-UHFFFAOYSA-N
XLogP1.49
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2S)-1-cyanopropan-2-yl]-5-methoxy-N-methylbenzenesulfonamide
CID 95623653
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 75483847
N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide
CID 119982572
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-5-nitrobenzenesulfonamide
CID 175573139
1-(2-bromo-5-methoxyphenyl)-N-(cyanomethyl)-N-methylmethanesulfonamide
CID 119051555
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]acetonitrile
CID 115131113
methyl 2-[(2-chloro-5-cyanophenyl)sulfonyl-methylamino]acetate
CID 80704406
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 45374620
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
CID 50894987
2-chloro-5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 80704425
2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide (CID 75505544) is 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide is COc1ccc(Cl)c(S(=O)(=O)N(C)CC#N)c1.
What is the InChIKey of 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide?
The InChIKey is GZLVWUYZSYGTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c1-13(6-5-12)17(14,15)10-7-8(16-2)3-4-9(10)11/h3-4,7H,6H2,1-2H3.
What are the key properties of 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide?
2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide has a molecular weight of 274.73 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 75505544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).