6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide

C10H13ClN4O3S — CID 64600942

IUPAC6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCC2CCC(=O)N2)cc1Cl
InChIInChI=1S/C10H13ClN4O3S/c11-8-3-7(5-13-10(8)12)19(17,18)14-4-6-1-2-9(16)15-6/h3,5-6,14H,1-2,4H2,(H2,12,13)(H,15,16)
InChIKeyGVDHSMPBBGWUSM-UHFFFAOYSA-N
MW304.76 g/mol
LogP-0.13
Rot. Bonds4

About 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide

6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 64600942) has the molecular formula C10H13ClN4O3S and a molecular weight of 304.76 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID64600942
Molecular FormulaC10H13ClN4O3S
Molecular Weight304.76 g/mol
Exact Mass304.04
IUPAC Name6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCC2CCC(=O)N2)cc1Cl
InChIInChI=1S/C10H13ClN4O3S/c11-8-3-7(5-13-10(8)12)19(17,18)14-4-6-1-2-9(16)15-6/h3,5-6,14H,1-2,4H2,(H2,12,13)(H,15,16)
InChIKeyGVDHSMPBBGWUSM-UHFFFAOYSA-N
XLogP-0.13
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide (CID 64600942) is 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide is Nc1ncc(S(=O)(=O)NCC2CCC(=O)N2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is GVDHSMPBBGWUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3S/c11-8-3-7(5-13-10(8)12)19(17,18)14-4-6-1-2-9(16)15-6/h3,5-6,14H,1-2,4H2,(H2,12,13)(H,15,16).
What are the key properties of 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 304.76 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64600942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).