2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide

C16H21N3O4S — CID 72879552

IUPAC2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)NCC1COc2cc(OC)ccc2C1
InChIInChI=1S/C16H21N3O4S/c1-3-19-16(6-7-17-19)24(20,21)18-10-12-8-13-4-5-14(22-2)9-15(13)23-11-12/h4-7,9,12,18H,3,8,10-11H2,1-2H3
InChIKeyZDWSPRDGGVYLHD-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.44
Rot. Bonds6

About 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide

2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide (PubChem CID 72879552) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide
PubChem CID72879552
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)NCC1COc2cc(OC)ccc2C1
InChIInChI=1S/C16H21N3O4S/c1-3-19-16(6-7-17-19)24(20,21)18-10-12-8-13-4-5-14(22-2)9-15(13)23-11-12/h4-7,9,12,18H,3,8,10-11H2,1-2H3
InChIKeyZDWSPRDGGVYLHD-UHFFFAOYSA-N
XLogP1.44
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene
CID 97124546
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
CID 72914852
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridin-4-ylpropanamide
CID 97275705
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 74234910
3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
CID 97147039
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 97268936

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide (CID 72879552) is 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide is CCn1nccc1S(=O)(=O)NCC1COc2cc(OC)ccc2C1.
What is the InChIKey of 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide?
The InChIKey is ZDWSPRDGGVYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-3-19-16(6-7-17-19)24(20,21)18-10-12-8-13-4-5-14(22-2)9-15(13)23-11-12/h4-7,9,12,18H,3,8,10-11H2,1-2H3.
What are the key properties of 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide?
2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 72879552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).