N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide

C19H25N3O3S — CID 97133350

IUPACN-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C19H25N3O3S/c1-19(2)10-17(21-26(23,24)15-8-9-15)16-12-20-22(18(16)11-19)13-4-6-14(25-3)7-5-13/h4-7,12,15,17,21H,8-11H2,1-3H3/t17-/m0/s1
InChIKeyKNRLNOXOPIVQGW-KRWDZBQOSA-N
MW375.49 g/mol
LogP2.98
Rot. Bonds5

About N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide

N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide (PubChem CID 97133350) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide
PubChem CID97133350
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C19H25N3O3S/c1-19(2)10-17(21-26(23,24)15-8-9-15)16-12-20-22(18(16)11-19)13-4-6-14(25-3)7-5-13/h4-7,12,15,17,21H,8-11H2,1-3H3/t17-/m0/s1
InChIKeyKNRLNOXOPIVQGW-KRWDZBQOSA-N
XLogP2.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]cyclopropanesulfonamide
CID 24953162
N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16666470
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]propane-1-sulfonamide
CID 24953163
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-2-sulfonamide
CID 59786572
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pentane-1-sulfonamide
CID 59786577
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide
CID 59786587
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723549
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24791319
5-fluoro-N-{1-[1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-2-methylbenzenesulfonamide
CID 24791402
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-butenamide
CID 23723387
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]propanamide
CID 24791503
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(2-oxo-1-pyrrolidinyl)propanamide
CID 24817491

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide (CID 97133350) is N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide is COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NS(=O)(=O)C2CC2)cc1.
What is the InChIKey of N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide?
The InChIKey is KNRLNOXOPIVQGW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-19(2)10-17(21-26(23,24)15-8-9-15)16-12-20-22(18(16)11-19)13-4-6-14(25-3)7-5-13/h4-7,12,15,17,21H,8-11H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide?
N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 97133350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).