N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide

C16H21N3O3S — CID 72914852

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C16H21N3O3S/c1-2-9-19-16(7-8-17-19)23(20,21)18-11-13-10-14-5-3-4-6-15(14)22-12-13/h3-8,13,18H,2,9-12H2,1H3
InChIKeyNKHTUCNMAXKQTE-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.82
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide (PubChem CID 72914852) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
PubChem CID72914852
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C16H21N3O3S/c1-2-9-19-16(7-8-17-19)23(20,21)18-11-13-10-14-5-3-4-6-15(14)22-12-13/h3-8,13,18H,2,9-12H2,1H3
InChIKeyNKHTUCNMAXKQTE-UHFFFAOYSA-N
XLogP1.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide
CID 72879552
(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene
CID 94201312
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
CID 51238121
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 51238126
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 41077705
3-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzene-1,3-disulfonamide
CID 55512090
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146767
3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146768
4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide
CID 97117712
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide (CID 72914852) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide is CCCn1nccc1S(=O)(=O)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide?
The InChIKey is NKHTUCNMAXKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-9-19-16(7-8-17-19)23(20,21)18-11-13-10-14-5-3-4-6-15(14)22-12-13/h3-8,13,18H,2,9-12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide is sourced from PubChem (CID 72914852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).