4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide

C16H19ClN2O4S — CID 66542237

IUPAC4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCCOc1cc(Cl)c(CNc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C16H19ClN2O4S/c1-3-23-16-9-14(17)11(8-15(16)22-2)10-19-12-4-6-13(7-5-12)24(18,20)21/h4-9,19H,3,10H2,1-2H3,(H2,18,20,21)
InChIKeyVKIWLWVDIURWKX-UHFFFAOYSA-N
MW370.86 g/mol
LogP3.01
Rot. Bonds7

About 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide

4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 66542237) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide
PubChem CID66542237
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Name4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCCOc1cc(Cl)c(CNc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C16H19ClN2O4S/c1-3-23-16-9-14(17)11(8-15(16)22-2)10-19-12-4-6-13(7-5-12)24(18,20)21/h4-9,19H,3,10H2,1-2H3,(H2,18,20,21)
InChIKeyVKIWLWVDIURWKX-UHFFFAOYSA-N
XLogP3.01
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]benzenesulfonamide
CID 66540594
4-[2-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 66532444
4-bromo-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]aniline
CID 66541758
N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
CID 66541994
4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]benzenesulfonamide
CID 66544745
3-chloro-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-fluoroaniline
CID 66541958
N-[(2-chloro-4,5-diethoxyphenyl)methyl]aniline
CID 66541803
ethyl 4-[(2-chloro-4,5-diethoxyphenyl)methylamino]benzoate
CID 66542035
4-chloro-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 66539636
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 66540113
3-chloro-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methoxyaniline
CID 66542482
4-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]phenol
CID 66541244

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide (CID 66542237) is 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide is CCOc1cc(Cl)c(CNc2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is VKIWLWVDIURWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-3-23-16-9-14(17)11(8-15(16)22-2)10-19-12-4-6-13(7-5-12)24(18,20)21/h4-9,19H,3,10H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide?
4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 370.86 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 66542237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).