4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide

C15H23N5O4S — CID 23238854

IUPAC4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide
SMILESCC(C)NC(=C[N+](=O)[O-])NS(=O)(=O)c1cnccc1NC1CCCC1
InChIInChI=1S/C15H23N5O4S/c1-11(2)17-15(10-20(21)22)19-25(23,24)14-9-16-8-7-13(14)18-12-5-3-4-6-12/h7-12,17,19H,3-6H2,1-2H3,(H,16,18)
InChIKeyBVFNCEOCCNHVJS-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.79
Rot. Bonds8

About 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide

4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide (PubChem CID 23238854) has the molecular formula C15H23N5O4S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide
PubChem CID23238854
Molecular FormulaC15H23N5O4S
Molecular Weight369.45 g/mol
Exact Mass369.15
IUPAC Name4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide
SMILESCC(C)NC(=C[N+](=O)[O-])NS(=O)(=O)c1cnccc1NC1CCCC1
InChIInChI=1S/C15H23N5O4S/c1-11(2)17-15(10-20(21)22)19-25(23,24)14-9-16-8-7-13(14)18-12-5-3-4-6-12/h7-12,17,19H,3-6H2,1-2H3,(H,16,18)
InChIKeyBVFNCEOCCNHVJS-UHFFFAOYSA-N
XLogP1.79
TPSA126.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide?
The IUPAC name of 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide (CID 23238854) is 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide is CC(C)NC(=C[N+](=O)[O-])NS(=O)(=O)c1cnccc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide?
The InChIKey is BVFNCEOCCNHVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S/c1-11(2)17-15(10-20(21)22)19-25(23,24)14-9-16-8-7-13(14)18-12-5-3-4-6-12/h7-12,17,19H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide?
4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide has a molecular weight of 369.45 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 23238854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).