N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide

C16H17N3O3S — CID 110724844

IUPACN,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N(C)Cc3ccncc3)ccc21
InChIInChI=1S/C16H17N3O3S/c1-18(11-12-5-7-17-8-6-12)23(21,22)14-3-4-15-13(9-14)10-16(20)19(15)2/h3-9H,10-11H2,1-2H3
InChIKeyDTYUIVWGIATTCV-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.42
Rot. Bonds4

About N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide

N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide (PubChem CID 110724844) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide
PubChem CID110724844
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N(C)Cc3ccncc3)ccc21
InChIInChI=1S/C16H17N3O3S/c1-18(11-12-5-7-17-8-6-12)23(21,22)14-3-4-15-13(9-14)10-16(20)19(15)2/h3-9H,10-11H2,1-2H3
InChIKeyDTYUIVWGIATTCV-UHFFFAOYSA-N
XLogP1.42
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
CID 110871146
1-methyl-2-oxo-N-(1-pyridin-4-ylethyl)-3H-indole-5-sulfonamide
CID 110724562
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156
N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18438757
3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107090629
N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 46290837
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110724834
2-[methyl-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]amino]benzamide
CID 24602631
1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide
CID 110672337
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanenitrile
CID 116855309
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide?
The IUPAC name of N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide (CID 110724844) is N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide.
What is the SMILES notation for N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide?
The canonical SMILES for N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)N(C)Cc3ccncc3)ccc21.
What is the InChIKey of N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide?
The InChIKey is DTYUIVWGIATTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-18(11-12-5-7-17-8-6-12)23(21,22)14-3-4-15-13(9-14)10-16(20)19(15)2/h3-9H,10-11H2,1-2H3.
What are the key properties of N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide?
N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide is sourced from PubChem (CID 110724844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).