N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide

C16H17N3O3S — CID 110757658

IUPACN-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H17N3O3S/c1-2-9-22-14-5-7-15(8-6-14)23(20,21)19-13-4-3-12-11-17-18-16(12)10-13/h3-8,10-11,19H,2,9H2,1H3,(H,17,18)
InChIKeyVTNWKLCIKCVODY-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.15
Rot. Bonds6

About N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide

N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide (PubChem CID 110757658) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide
PubChem CID110757658
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H17N3O3S/c1-2-9-22-14-5-7-15(8-6-14)23(20,21)19-13-4-3-12-11-17-18-16(12)10-13/h3-8,10-11,19H,2,9H2,1H3,(H,17,18)
InChIKeyVTNWKLCIKCVODY-UHFFFAOYSA-N
XLogP3.15
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N-(1H-indazol-6-yl)-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 110757572
6-amino-N-(4-propoxyphenyl)pyridine-3-sulfonamide
CID 62328717
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide
CID 4782602
N-(1H-indazol-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 97242161
N-(3,4-dihydroxyphenyl)-4-octadecoxybenzenesulfonamide
CID 71344674
N-(1H-indazol-6-yl)sulfamoyl chloride
CID 84760699
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110731214
N-(1H-indazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7530705

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide (CID 110757658) is N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide?
The InChIKey is VTNWKLCIKCVODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-9-22-14-5-7-15(8-6-14)23(20,21)19-13-4-3-12-11-17-18-16(12)10-13/h3-8,10-11,19H,2,9H2,1H3,(H,17,18).
What are the key properties of N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide?
N-(1H-indazol-6-yl)-4-propoxybenzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 3.15, 6 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)-4-propoxybenzenesulfonamide is sourced from PubChem (CID 110757658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).