4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C19H18BrN3O4S — CID 135309781

IUPAC4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(Br)c2c1C(C(=O)NS(=O)(=O)c1cccc3cnn(C)c13)CC2
InChIInChI=1S/C19H18BrN3O4S/c1-23-18-11(10-21-23)4-3-5-16(18)28(25,26)22-19(24)13-7-6-12-14(20)8-9-15(27-2)17(12)13/h3-5,8-10,13H,6-7H2,1-2H3,(H,22,24)
InChIKeyVNUHOVRNAUDFAI-UHFFFAOYSA-N
MW464.34 g/mol
LogP2.88
Rot. Bonds4

About 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309781) has the molecular formula C19H18BrN3O4S and a molecular weight of 464.34 g/mol. Its IUPAC name is 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309781
Molecular FormulaC19H18BrN3O4S
Molecular Weight464.34 g/mol
Exact Mass463.02
IUPAC Name4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(Br)c2c1C(C(=O)NS(=O)(=O)c1cccc3cnn(C)c13)CC2
InChIInChI=1S/C19H18BrN3O4S/c1-23-18-11(10-21-23)4-3-5-16(18)28(25,26)22-19(24)13-7-6-12-14(20)8-9-15(27-2)17(12)13/h3-5,8-10,13H,6-7H2,1-2H3,(H,22,24)
InChIKeyVNUHOVRNAUDFAI-UHFFFAOYSA-N
XLogP2.88
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309735
4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310046
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697
methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 135310189
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310308
(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309685
(4S)-8-cyano-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313383
4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309885
(4S)-8-chloro-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313371
8-bromo-5-(2-hydroxy-2-methylpropoxy)-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310012
4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310200
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135309781) is 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc(Br)c2c1C(C(=O)NS(=O)(=O)c1cccc3cnn(C)c13)CC2.
What is the InChIKey of 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is VNUHOVRNAUDFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4S/c1-23-18-11(10-21-23)4-3-5-16(18)28(25,26)22-19(24)13-7-6-12-14(20)8-9-15(27-2)17(12)13/h3-5,8-10,13H,6-7H2,1-2H3,(H,22,24).
What are the key properties of 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 464.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-N-(1-methylindazol-7-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).