5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide

C32H35N5O4S — CID 7113373

About 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide (PubChem CID 7113373) has the molecular formula C32H35N5O4S and a molecular weight of 585.73 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide.

Molecular Properties

• Compound Name: 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide
• PubChem CID: 7113373
• Molecular Formula: C32H35N5O4S
• Molecular Weight: 585.73 g/mol
• Exact Mass: 585.24
• IUPAC Name: 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide
• SMILES: CN(C)c1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c(=O)n2C3)cc1
• InChI: InChI=1S/C32H35N5O4S/c1-34(2)24-13-11-22(12-14-24)31(38)36-18-21-17-23(20-36)28-16-15-27(32(39)37(28)19-21)33-42(40,41)30-10-6-7-25-26(30)8-5-9-29(25)35(3)4/h5-16,21,23,33H,17-20H2,1-4H3/t21-,23+/m0/s1
• InChIKey: OGQRSCPPJWDPCQ-JTHBVZDNSA-N
• XLogP: 4.19
• TPSA: 94.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.73
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide?

The IUPAC name of 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide (CID 7113373) is 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide.

What is the SMILES notation for 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide?

The canonical SMILES for 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide is CN(C)c1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c(=O)n2C3)cc1.

What is the InChIKey of 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide?

The InChIKey is OGQRSCPPJWDPCQ-JTHBVZDNSA-N. The full InChI is InChI=1S/C32H35N5O4S/c1-34(2)24-13-11-22(12-14-24)31(38)36-18-21-17-23(20-36)28-16-15-27(32(39)37(28)19-21)33-42(40,41)30-10-6-7-25-26(30)8-5-9-29(25)35(3)4/h5-16,21,23,33H,17-20H2,1-4H3/t21-,23+/m0/s1.

What are the key properties of 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide?

5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide has a molecular weight of 585.73 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(dimethylamino)-N-[(1R,9S)-11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 7113373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).