N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide

C16H17N3O3S — CID 110759567

IUPACN-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c1-10-6-11(2)16(15(7-10)22-3)23(20,21)19-13-5-4-12-9-17-18-14(12)8-13/h4-9,19H,1-3H3,(H,17,18)
InChIKeyCWCDLSFAOUHPNP-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.99
Rot. Bonds4

About N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide

N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide (PubChem CID 110759567) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide
PubChem CID110759567
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c1-10-6-11(2)16(15(7-10)22-3)23(20,21)19-13-5-4-12-9-17-18-14(12)8-13/h4-9,19H,1-3H3,(H,17,18)
InChIKeyCWCDLSFAOUHPNP-UHFFFAOYSA-N
XLogP2.99
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide (CID 110759567) is N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide is COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
The InChIKey is CWCDLSFAOUHPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-6-11(2)16(15(7-10)22-3)23(20,21)19-13-5-4-12-9-17-18-14(12)8-13/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.99, 4 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)-2-methoxy-4,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 110759567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).