4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide

C25H30N2O7S2 — CID 25060735

IUPAC4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2OCCC)c1
InChIInChI=1S/C25H30N2O7S2/c1-4-16-33-22-12-8-6-10-20(22)26-35(28,29)19-14-15-24(32-3)25(18-19)36(30,31)27-21-11-7-9-13-23(21)34-17-5-2/h6-15,18,26-27H,4-5,16-17H2,1-3H3
InChIKeyPQNXOCVRPQIPBM-UHFFFAOYSA-N
MW534.66 g/mol
LogP4.87
Rot. Bonds13

About 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide

4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide (PubChem CID 25060735) has the molecular formula C25H30N2O7S2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
PubChem CID25060735
Molecular FormulaC25H30N2O7S2
Molecular Weight534.66 g/mol
Exact Mass534.15
IUPAC Name4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2OCCC)c1
InChIInChI=1S/C25H30N2O7S2/c1-4-16-33-22-12-8-6-10-20(22)26-35(28,29)19-14-15-24(32-3)25(18-19)36(30,31)27-21-11-7-9-13-23(21)34-17-5-2/h6-15,18,26-27H,4-5,16-17H2,1-3H3
InChIKeyPQNXOCVRPQIPBM-UHFFFAOYSA-N
XLogP4.87
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.66
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
1-N,3-N-bis(4-fluoro-3-propoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157115
1-N,3-N-bis(3-fluoro-5-propoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157276
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
CID 7938551
1-N,3-N-bis(2-ethoxy-3-fluorophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157222
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide?
The IUPAC name of 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide (CID 25060735) is 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide?
The canonical SMILES for 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide is CCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2OCCC)c1.
What is the InChIKey of 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide?
The InChIKey is PQNXOCVRPQIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O7S2/c1-4-16-33-22-12-8-6-10-20(22)26-35(28,29)19-14-15-24(32-3)25(18-19)36(30,31)27-21-11-7-9-13-23(21)34-17-5-2/h6-15,18,26-27H,4-5,16-17H2,1-3H3.
What are the key properties of 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide?
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide has a molecular weight of 534.66 g/mol, XLogP of 4.87, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 25060735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).