4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide

C20H25N3O4S2 — CID 1176414

IUPAC4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CCCC2)cc1
InChIInChI=1S/C20H25N3O4S2/c24-28(25,22-16-8-9-16)19-10-12-20(13-11-19)29(26,27)23(18-6-1-2-7-18)15-17-5-3-4-14-21-17/h3-5,10-14,16,18,22H,1-2,6-9,15H2
InChIKeyYULWGJZTHLCTAO-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.66
Rot. Bonds8

About 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide

4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide (PubChem CID 1176414) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
PubChem CID1176414
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CCCC2)cc1
InChIInChI=1S/C20H25N3O4S2/c24-28(25,22-16-8-9-16)19-10-12-20(13-11-19)29(26,27)23(18-6-1-2-7-18)15-17-5-3-4-14-21-17/h3-5,10-14,16,18,22H,1-2,6-9,15H2
InChIKeyYULWGJZTHLCTAO-UHFFFAOYSA-N
XLogP2.66
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide (CID 1176414) is 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide is O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CCCC2)cc1.
What is the InChIKey of 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
The InChIKey is YULWGJZTHLCTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c24-28(25,22-16-8-9-16)19-10-12-20(13-11-19)29(26,27)23(18-6-1-2-7-18)15-17-5-3-4-14-21-17/h3-5,10-14,16,18,22H,1-2,6-9,15H2.
What are the key properties of 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide?
4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide has a molecular weight of 435.57 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-1-N-cyclopropyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 1176414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).