6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C18H18N8O4S2 — CID 135149883

IUPAC6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCn1ncc2c(-c3ccc(S(=O)(=O)C4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc21
InChIInChI=1S/C18H18N8O4S2/c1-26-14-4-2-3-11(13(14)9-21-26)12-5-6-15(31(27,28)10-7-20-8-10)17(32(19,29)30)16(12)18-22-24-25-23-18/h2-6,9-10,20H,7-8H2,1H3,(H2,19,29,30)(H,22,23,24,25)
InChIKeyBMENUIHVCNVONI-UHFFFAOYSA-N
MW474.53 g/mol
LogP-0.19
Rot. Bonds5

About 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149883) has the molecular formula C18H18N8O4S2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149883
Molecular FormulaC18H18N8O4S2
Molecular Weight474.53 g/mol
Exact Mass474.09
IUPAC Name6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCn1ncc2c(-c3ccc(S(=O)(=O)C4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc21
InChIInChI=1S/C18H18N8O4S2/c1-26-14-4-2-3-11(13(14)9-21-26)12-5-6-15(31(27,28)10-7-20-8-10)17(32(19,29)30)16(12)18-22-24-25-23-18/h2-6,9-10,20H,7-8H2,1H3,(H2,19,29,30)(H,22,23,24,25)
InChIKeyBMENUIHVCNVONI-UHFFFAOYSA-N
XLogP-0.19
TPSA178.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(azetidin-3-ylsulfonyl)-3-quinolin-8-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150190
6-(azetidin-3-ylsulfonyl)-3-quinolin-8-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide;formaldehyde
CID 145220005
6-(azetidin-3-ylsulfonyl)-3-(1,1-dihydroxy-3-oxo-1,2-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149718
8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 135150057
6-(azetidin-3-ylsulfonyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;methane
CID 145214723
6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149752
3-(2-amino-1,3-benzoxazol-4-yl)-6-pyrrolidin-3-ylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149629
6-(azetidin-3-ylsulfonyl)-3-furo[3,2-b]pyridin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150316
6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 155089544
3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149657
3-[5-(aminomethyl)-3-pyridinyl]-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 171923345
3-(2-amino-1H-benzimidazol-4-yl)-6-[1-(2-aminoethyl)piperidin-4-yl]sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150102

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149883) is 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cn1ncc2c(-c3ccc(S(=O)(=O)C4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc21.
What is the InChIKey of 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is BMENUIHVCNVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O4S2/c1-26-14-4-2-3-11(13(14)9-21-26)12-5-6-15(31(27,28)10-7-20-8-10)17(32(19,29)30)16(12)18-22-24-25-23-18/h2-6,9-10,20H,7-8H2,1H3,(H2,19,29,30)(H,22,23,24,25).
What are the key properties of 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 474.53 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylsulfonyl)-3-(1-methylindazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).