3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide

C11H16N2O5S2 — CID 64552219

IUPAC3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1CNS(=O)(=O)C1CC1
InChIInChI=1S/C11H16N2O5S2/c1-18-11-5-4-10(19(12,14)15)6-8(11)7-13-20(16,17)9-2-3-9/h4-6,9,13H,2-3,7H2,1H3,(H2,12,14,15)
InChIKeyTYTINZDCIRAVQO-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.08
Rot. Bonds6

About 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide

3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide (PubChem CID 64552219) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide
PubChem CID64552219
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1CNS(=O)(=O)C1CC1
InChIInChI=1S/C11H16N2O5S2/c1-18-11-5-4-10(19(12,14)15)6-8(11)7-13-20(16,17)9-2-3-9/h4-6,9,13H,2-3,7H2,1H3,(H2,12,14,15)
InChIKeyTYTINZDCIRAVQO-UHFFFAOYSA-N
XLogP-0.08
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide (CID 64552219) is 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1CNS(=O)(=O)C1CC1.
What is the InChIKey of 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is TYTINZDCIRAVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-18-11-5-4-10(19(12,14)15)6-8(11)7-13-20(16,17)9-2-3-9/h4-6,9,13H,2-3,7H2,1H3,(H2,12,14,15).
What are the key properties of 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide?
3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 320.39 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 64552219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).