N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

C16H15N3O4S — CID 8002114

IUPACN-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H15N3O4S/c20-24(21,19-12-3-2-11-10-17-18-14(11)8-12)13-4-5-15-16(9-13)23-7-1-6-22-15/h2-5,8-10,19H,1,6-7H2,(H,17,18)
InChIKeyDVFKAPYPLRMCMB-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.53
Rot. Bonds3

About N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (PubChem CID 8002114) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
PubChem CID8002114
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H15N3O4S/c20-24(21,19-12-3-2-11-10-17-18-14(11)8-12)13-4-5-15-16(9-13)23-7-1-6-22-15/h2-5,8-10,19H,1,6-7H2,(H,17,18)
InChIKeyDVFKAPYPLRMCMB-UHFFFAOYSA-N
XLogP2.53
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 1507316
N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
CID 2078537
4-ethoxy-N-1H-indazol-6-yl-2,5-dimethylbenzenesulfonamide
CID 2237144
(E)-3-[3-(1H-indazol-6-ylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
CID 2480014
2-(4-fluorophenoxy)-N-(1H-indazol-6-yl)ethanesulfonamide
CID 56764883
5-fluoro-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
CID 1509871
4-fluoro-N-(1H-indazol-6-yl)-3-methoxybenzenesulfonamide
CID 1509872
3-ethoxy-4-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 1509873
4-bromo-N-(2H-indazol-6-yl)-3-methoxybenzene-1-sulfonamide
CID 1509868
N-(1H-indazol-6-yl)-2,5-dimethoxybenzenesulfonamide
CID 1510472
N-(1H-Indazol-5-yl)-4-methoxybenzenesulfonamide
CID 25037537
N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3842766

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CID 8002114) is N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The InChIKey is DVFKAPYPLRMCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c20-24(21,19-12-3-2-11-10-17-18-14(11)8-12)13-4-5-15-16(9-13)23-7-1-6-22-15/h2-5,8-10,19H,1,6-7H2,(H,17,18).
What are the key properties of N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is sourced from PubChem (CID 8002114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).