N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide

C19H25N3O3S — CID 99836946

IUPACN,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide
SMILESCN([C@H]1CCCc2c1cnn2C)S(=O)(=O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C19H25N3O3S/c1-19(2)11-13-7-5-10-17(18(13)25-19)26(23,24)22(4)16-9-6-8-15-14(16)12-20-21(15)3/h5,7,10,12,16H,6,8-9,11H2,1-4H3/t16-/m0/s1
InChIKeyTZBPVJWDKVCEIR-INIZCTEOSA-N
MW375.49 g/mol
LogP2.83
Rot. Bonds3

About N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide

N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide (PubChem CID 99836946) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide
PubChem CID99836946
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide
SMILESCN([C@H]1CCCc2c1cnn2C)S(=O)(=O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C19H25N3O3S/c1-19(2)11-13-7-5-10-17(18(13)25-19)26(23,24)22(4)16-9-6-8-15-14(16)12-20-21(15)3/h5,7,10,12,16H,6,8-9,11H2,1-4H3/t16-/m0/s1
InChIKeyTZBPVJWDKVCEIR-INIZCTEOSA-N
XLogP2.83
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide
CID 99718097
N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide
CID 126799663
N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 126772467
3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide
CID 110026083
(4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 97070120
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-4-(1-methylpyrazol-4-yl)piperazine
CID 99836932
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide
CID 99836810
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-1-methylpiperazin-2-one
CID 99836918
N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
CID 60958622
N-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methyl]-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
CID 167881135
N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide
CID 166231848

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide?
The IUPAC name of N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide (CID 99836946) is N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide?
The canonical SMILES for N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide is CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)c1cccc2c1OC(C)(C)C2.
What is the InChIKey of N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide?
The InChIKey is TZBPVJWDKVCEIR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-19(2)11-13-7-5-10-17(18(13)25-19)26(23,24)22(4)16-9-6-8-15-14(16)12-20-21(15)3/h5,7,10,12,16H,6,8-9,11H2,1-4H3/t16-/m0/s1.
What are the key properties of N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide?
N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 99836946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).