N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide

C18H19N3O2S — CID 34125322

IUPACN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide
SMILESCn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19N3O2S/c1-21-18-8-4-7-17(16(18)12-19-21)20-24(22,23)15-10-9-13-5-2-3-6-14(13)11-15/h2-3,5-6,9-12,17,20H,4,7-8H2,1H3/t17-/m0/s1
InChIKeyCMSBYRFORZRHFM-KRWDZBQOSA-N
MW341.44 g/mol
LogP2.93
Rot. Bonds3

About N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide

N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide (PubChem CID 34125322) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide
PubChem CID34125322
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide
SMILESCn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19N3O2S/c1-21-18-8-4-7-17(16(18)12-19-21)20-24(22,23)15-10-9-13-5-2-3-6-14(13)11-15/h2-3,5-6,9-12,17,20H,4,7-8H2,1H3/t17-/m0/s1
InChIKeyCMSBYRFORZRHFM-KRWDZBQOSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide
CID 56731325
3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 34125604
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide
CID 47954940
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 94113755
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 129326844
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide
CID 38815166
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435422
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254584
N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide (CID 34125322) is N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide is Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide?
The InChIKey is CMSBYRFORZRHFM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21-18-8-4-7-17(16(18)12-19-21)20-24(22,23)15-10-9-13-5-2-3-6-14(13)11-15/h2-3,5-6,9-12,17,20H,4,7-8H2,1H3/t17-/m0/s1.
What are the key properties of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide?
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 34125322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).