N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

C17H19N3O3S — CID 110758188

IUPACN-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1OC(C)C
InChIInChI=1S/C17H19N3O3S/c1-11(2)23-17-7-6-15(8-12(17)3)24(21,22)20-14-5-4-13-10-18-19-16(13)9-14/h4-11,20H,1-3H3,(H,18,19)
InChIKeyRKOFLYOVIDKCHK-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.46
Rot. Bonds5

About N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110758188) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID110758188
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1OC(C)C
InChIInChI=1S/C17H19N3O3S/c1-11(2)23-17-7-6-15(8-12(17)3)24(21,22)20-14-5-4-13-10-18-19-16(13)9-14/h4-11,20H,1-3H3,(H,18,19)
InChIKeyRKOFLYOVIDKCHK-UHFFFAOYSA-N
XLogP3.46
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 110757572
3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394212
3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758191
N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110731214
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
N-(1H-indazol-6-yl)propane-2-sulfonamide
CID 25044387
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759567
N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide
CID 110757658
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 110758188) is N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1OC(C)C.
What is the InChIKey of N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is RKOFLYOVIDKCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(2)23-17-7-6-15(8-12(17)3)24(21,22)20-14-5-4-13-10-18-19-16(13)9-14/h4-11,20H,1-3H3,(H,18,19).
What are the key properties of N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110758188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).