(4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole

C17H22F2N4O2S — CID 97128287

IUPAC(4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole
SMILESCCN(CC)S(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C17H22F2N4O2S/c1-3-22(4-2)26(24,25)21-16-6-5-7-17-15(16)11-20-23(17)14-9-12(18)8-13(19)10-14/h8-11,16,21H,3-7H2,1-2H3/t16-/m1/s1
InChIKeyCMICLMFXZFMOQS-MRXNPFEDSA-N
MW384.45 g/mol
LogP2.70
Rot. Bonds6

About (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole

(4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole (PubChem CID 97128287) has the molecular formula C17H22F2N4O2S and a molecular weight of 384.45 g/mol. Its IUPAC name is (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name(4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole
PubChem CID97128287
Molecular FormulaC17H22F2N4O2S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name(4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole
SMILESCCN(CC)S(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C17H22F2N4O2S/c1-3-22(4-2)26(24,25)21-16-6-5-7-17-15(16)11-20-23(17)14-9-12(18)8-13(19)10-14/h8-11,16,21H,3-7H2,1-2H3/t16-/m1/s1
InChIKeyCMICLMFXZFMOQS-MRXNPFEDSA-N
XLogP2.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97125555
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626
(4S)-1-(4-tert-butylphenyl)-4-(dimethylsulfamoylamino)-4,5,6,7-tetrahydroindazole
CID 97129931
1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
CID 24794165
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methoxyhexanamide
CID 97132643
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
CID 97140880
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
CID 42245579
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
CID 42567120
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
CID 42567121
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 24791231
1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45213487

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole (CID 97128287) is (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole is CCN(CC)S(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1.
What is the InChIKey of (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is CMICLMFXZFMOQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22F2N4O2S/c1-3-22(4-2)26(24,25)21-16-6-5-7-17-15(16)11-20-23(17)14-9-12(18)8-13(19)10-14/h8-11,16,21H,3-7H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole?
(4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 384.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 97128287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).