1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide

C16H19N3O3S — CID 18092883

IUPAC1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H19N3O3S/c1-19-10-4-7-15(19)16(20)17-18-23(21,22)14-9-8-12-5-2-3-6-13(12)11-14/h4,7-11,18H,2-3,5-6H2,1H3,(H,17,20)
InChIKeySDHGKYWFMCWGPS-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.53
Rot. Bonds4

About 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide

1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide (PubChem CID 18092883) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide
PubChem CID18092883
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H19N3O3S/c1-19-10-4-7-15(19)16(20)17-18-23(21,22)14-9-8-12-5-2-3-6-13(12)11-14/h4,7-11,18H,2-3,5-6H2,1H3,(H,17,20)
InChIKeySDHGKYWFMCWGPS-UHFFFAOYSA-N
XLogP1.53
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide
CID 17433853
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 26951568
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
2-[6-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 30766383
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide
CID 8617486
N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 47022397
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8614282
methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate
CID 35532022
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
CID 26950970
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
CID 8617605

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide?
The IUPAC name of 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide (CID 18092883) is 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide is Cn1cccc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide?
The InChIKey is SDHGKYWFMCWGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-19-10-4-7-15(19)16(20)17-18-23(21,22)14-9-8-12-5-2-3-6-13(12)11-14/h4,7-11,18H,2-3,5-6H2,1H3,(H,17,20).
What are the key properties of 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide?
1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide has a molecular weight of 333.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide is sourced from PubChem (CID 18092883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).