N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

C16H17N3O3S — CID 136531709

IUPACN-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESCn1nccc1S(=O)(=O)NC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C16H17N3O3S/c1-19-14(7-9-17-19)23(21,22)18-15(20)13-10-16(13)8-6-11-4-2-3-5-12(11)16/h2-5,7,9,13H,6,8,10H2,1H3,(H,18,20)
InChIKeyWCDDGWPPDBDWOJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.13
Rot. Bonds3

About N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 136531709) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
PubChem CID136531709
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESCn1nccc1S(=O)(=O)NC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C16H17N3O3S/c1-19-14(7-9-17-19)23(21,22)18-15(20)13-10-16(13)8-6-11-4-2-3-5-12(11)16/h2-5,7,9,13H,6,8,10H2,1H3,(H,18,20)
InChIKeyWCDDGWPPDBDWOJ-UHFFFAOYSA-N
XLogP1.13
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 167849495
N-(diethylsulfamoyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 154803041
(1'R,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 124889043
(1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 124889039
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119369980
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
(1'R,3S)-N-[(1-methylbenzimidazol-2-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 124608114
N-(2-amino-2-ethylbutyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119641782
(1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97065291
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-sulfonamide
CID 104773010
3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120580722

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (CID 136531709) is N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is Cn1nccc1S(=O)(=O)NC(=O)C1CC12CCc1ccccc12.
What is the InChIKey of N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is WCDDGWPPDBDWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-19-14(7-9-17-19)23(21,22)18-15(20)13-10-16(13)8-6-11-4-2-3-5-12(11)16/h2-5,7,9,13H,6,8,10H2,1H3,(H,18,20).
What are the key properties of N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)sulfonylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 136531709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).