2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide

C18H22N2O5S2 — CID 2738732

IUPAC2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide
SMILESCC1(C)CCc2cc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc2O1
InChIInChI=1S/C18H22N2O5S2/c1-18(2)10-9-14-11-16(7-8-17(14)25-18)27(23,24)20-12-13-3-5-15(6-4-13)26(19,21)22/h3-8,11,20H,9-10,12H2,1-2H3,(H2,19,21,22)
InChIKeyDSHHDSMQMXSRKG-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.92
Rot. Bonds5

About 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide

2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide (PubChem CID 2738732) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide
PubChem CID2738732
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide
SMILESCC1(C)CCc2cc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc2O1
InChIInChI=1S/C18H22N2O5S2/c1-18(2)10-9-14-11-16(7-8-17(14)25-18)27(23,24)20-12-13-3-5-15(6-4-13)26(19,21)22/h3-8,11,20H,9-10,12H2,1-2H3,(H2,19,21,22)
InChIKeyDSHHDSMQMXSRKG-UHFFFAOYSA-N
XLogP1.92
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide (CID 2738732) is 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide is CC1(C)CCc2cc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide?
The InChIKey is DSHHDSMQMXSRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-18(2)10-9-14-11-16(7-8-17(14)25-18)27(23,24)20-12-13-3-5-15(6-4-13)26(19,21)22/h3-8,11,20H,9-10,12H2,1-2H3,(H2,19,21,22).
What are the key properties of 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide?
2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide has a molecular weight of 410.52 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 2738732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).