N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide

C14H17N3O3S — CID 126833408

IUPACN-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide
SMILESCCC(CS(=O)(=O)Nc1[nH]c2ccccc2c1C#N)OC
InChIInChI=1S/C14H17N3O3S/c1-3-10(20-2)9-21(18,19)17-14-12(8-15)11-6-4-5-7-13(11)16-14/h4-7,10,16-17H,3,9H2,1-2H3
InChIKeyDXIMLZLUKVYOJZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.21
Rot. Bonds6

About N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide

N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide (PubChem CID 126833408) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide
PubChem CID126833408
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide
SMILESCCC(CS(=O)(=O)Nc1[nH]c2ccccc2c1C#N)OC
InChIInChI=1S/C14H17N3O3S/c1-3-10(20-2)9-21(18,19)17-14-12(8-15)11-6-4-5-7-13(11)16-14/h4-7,10,16-17H,3,9H2,1-2H3
InChIKeyDXIMLZLUKVYOJZ-UHFFFAOYSA-N
XLogP2.21
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile
CID 115146441
2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile
CID 115146330
2-propoxy-1H-indole-3-carbonitrile
CID 142777137
2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile
CID 115146398
2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile
CID 115146404
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
2-formyl-1H-indole-3-carbonitrile
CID 59277563
2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile
CID 141210513
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile
CID 115146393
2-(5-bromo-2-methylanilino)-1H-indole-3-carbonitrile
CID 115146340

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide (CID 126833408) is N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide is CCC(CS(=O)(=O)Nc1[nH]c2ccccc2c1C#N)OC.
What is the InChIKey of N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide?
The InChIKey is DXIMLZLUKVYOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-10(20-2)9-21(18,19)17-14-12(8-15)11-6-4-5-7-13(11)16-14/h4-7,10,16-17H,3,9H2,1-2H3.
What are the key properties of N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide?
N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide is sourced from PubChem (CID 126833408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).