1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide

C18H21N3O3S — CID 56731565

IUPAC1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cccnc2)cc2c1N(C)C(=O)C2(C)C
InChIInChI=1S/C18H21N3O3S/c1-12-8-14(9-15-16(12)21(4)17(22)18(15,2)3)25(23,24)20-11-13-6-5-7-19-10-13/h5-10,20H,11H2,1-4H3
InChIKeyYCGAHTHCPVSRRC-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.12
Rot. Bonds4

About 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide

1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide (PubChem CID 56731565) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide.

Molecular Properties

Compound Name1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide
PubChem CID56731565
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cccnc2)cc2c1N(C)C(=O)C2(C)C
InChIInChI=1S/C18H21N3O3S/c1-12-8-14(9-15-16(12)21(4)17(22)18(15,2)3)25(23,24)20-11-13-6-5-7-19-10-13/h5-10,20H,11H2,1-4H3
InChIKeyYCGAHTHCPVSRRC-UHFFFAOYSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
CID 56731556
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43853556
1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
CID 7475220
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
CID 53105744
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103171067
5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106030834
1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
CID 17247589
2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
CID 100553515
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
CID 110760524

Frequently Asked Questions

What is the IUPAC name of 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide?
The IUPAC name of 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide (CID 56731565) is 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide.
What is the SMILES notation for 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide?
The canonical SMILES for 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide is Cc1cc(S(=O)(=O)NCc2cccnc2)cc2c1N(C)C(=O)C2(C)C.
What is the InChIKey of 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide?
The InChIKey is YCGAHTHCPVSRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-8-14(9-15-16(12)21(4)17(22)18(15,2)3)25(23,24)20-11-13-6-5-7-19-10-13/h5-10,20H,11H2,1-4H3.
What are the key properties of 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide?
1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide is sourced from PubChem (CID 56731565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).