N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide

C19H15N3O4S — CID 1358206

IUPACN-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1
InChIInChI=1S/C19H15N3O4S/c1-11(23)20-12-5-7-13(8-6-12)22-27(25,26)17-10-9-16-18-14(17)3-2-4-15(18)19(24)21-16/h2-10,22H,1H3,(H,20,23)(H,21,24)
InChIKeySIPBKJGOPYMXCJ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.16
Rot. Bonds4

About N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide

N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide (PubChem CID 1358206) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide
PubChem CID1358206
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC NameN-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1
InChIInChI=1S/C19H15N3O4S/c1-11(23)20-12-5-7-13(8-6-12)22-27(25,26)17-10-9-16-18-14(17)3-2-4-15(18)19(24)21-16/h2-10,22H,1H3,(H,20,23)(H,21,24)
InChIKeySIPBKJGOPYMXCJ-UHFFFAOYSA-N
XLogP3.16
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide (CID 1358206) is N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1.
What is the InChIKey of N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is SIPBKJGOPYMXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-11(23)20-12-5-7-13(8-6-12)22-27(25,26)17-10-9-16-18-14(17)3-2-4-15(18)19(24)21-16/h2-10,22H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide?
N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 1358206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).