2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide

C27H25BrN4O3S — CID 155168728

IUPAC2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide
SMILESNC(=O)C(NS(=O)(=O)c1ccc(Br)cc1)C(CCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C27H25BrN4O3S/c28-18-10-12-19(13-11-18)36(34,35)32-26(27(29)33)22(23-16-31-25-8-4-2-6-21(23)25)14-9-17-15-30-24-7-3-1-5-20(17)24/h1-8,10-13,15-16,22,26,30-32H,9,14H2,(H2,29,33)
InChIKeyCIEZZCQELOGSCC-UHFFFAOYSA-N
MW565.49 g/mol
LogP4.96
Rot. Bonds9

About 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide

2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide (PubChem CID 155168728) has the molecular formula C27H25BrN4O3S and a molecular weight of 565.49 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide
PubChem CID155168728
Molecular FormulaC27H25BrN4O3S
Molecular Weight565.49 g/mol
Exact Mass564.08
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide
SMILESNC(=O)C(NS(=O)(=O)c1ccc(Br)cc1)C(CCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C27H25BrN4O3S/c28-18-10-12-19(13-11-18)36(34,35)32-26(27(29)33)22(23-16-31-25-8-4-2-6-21(23)25)14-9-17-15-30-24-7-3-1-5-20(17)24/h1-8,10-13,15-16,22,26,30-32H,9,14H2,(H2,29,33)
InChIKeyCIEZZCQELOGSCC-UHFFFAOYSA-N
XLogP4.96
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.49
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide (CID 155168728) is 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide is NC(=O)C(NS(=O)(=O)c1ccc(Br)cc1)C(CCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide?
The InChIKey is CIEZZCQELOGSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN4O3S/c28-18-10-12-19(13-11-18)36(34,35)32-26(27(29)33)22(23-16-31-25-8-4-2-6-21(23)25)14-9-17-15-30-24-7-3-1-5-20(17)24/h1-8,10-13,15-16,22,26,30-32H,9,14H2,(H2,29,33).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide?
2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide has a molecular weight of 565.49 g/mol, XLogP of 4.96, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-3,5-bis(1H-indol-3-yl)pentanamide is sourced from PubChem (CID 155168728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).