N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H19ClN4O3S — CID 110415994

IUPACN-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H19ClN4O3S/c18-13-10-11(6-7-15(13)22-8-3-9-26(22,24)25)19-17(23)16-12-4-1-2-5-14(12)20-21-16/h6-7,10H,1-5,8-9H2,(H,19,23)(H,20,21)
InChIKeyXATNSHQVAHNPBF-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.73
Rot. Bonds3

About N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110415994) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110415994
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC NameN-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H19ClN4O3S/c18-13-10-11(6-7-15(13)22-8-3-9-26(22,24)25)19-17(23)16-12-4-1-2-5-14(12)20-21-16/h6-7,10H,1-5,8-9H2,(H,19,23)(H,20,21)
InChIKeyXATNSHQVAHNPBF-UHFFFAOYSA-N
XLogP2.73
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110621336
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
N-(1-acetyl-2,3-dihydroindol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110627216
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110623445
N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110420482
N-quinoxalin-6-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 126787422
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide
CID 112505677
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
1-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylurea
CID 112505387
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112818900

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110415994) is N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is XATNSHQVAHNPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-13-10-11(6-7-15(13)22-8-3-9-26(22,24)25)19-17(23)16-12-4-1-2-5-14(12)20-21-16/h6-7,10H,1-5,8-9H2,(H,19,23)(H,20,21).
What are the key properties of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110415994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).