N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide

C23H25N5O5S — CID 23075753

IUPACN-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCCC3CO)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H25N5O5S/c1-16-6-8-19(9-7-16)34(31,32)27-21-22(33-15-17-4-2-10-24-12-17)26-20(13-25-21)23(30)28-11-3-5-18(28)14-29/h2,4,6-10,12-13,18,29H,3,5,11,14-15H2,1H3,(H,25,27)
InChIKeyOOXSFPWJDBJZCU-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.16
Rot. Bonds8

About N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide

N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075753) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075753
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC NameN-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCCC3CO)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H25N5O5S/c1-16-6-8-19(9-7-16)34(31,32)27-21-22(33-15-17-4-2-10-24-12-17)26-20(13-25-21)23(30)28-11-3-5-18(28)14-29/h2,4,6-10,12-13,18,29H,3,5,11,14-15H2,1H3,(H,25,27)
InChIKeyOOXSFPWJDBJZCU-UHFFFAOYSA-N
XLogP2.16
TPSA134.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-fluoroethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076041
5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 23076159
4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075719
4-methyl-N-[5-(3-methylpiperidine-1-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075725
N-butyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075727
4-methyl-N-[5-(morpholine-4-carbonyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075738
N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075745
5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075756
N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075782
5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075791
5-[(4-methylphenyl)sulfonylamino]-N,N-dipropyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075799
5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075800

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23075753) is N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)N3CCCC3CO)nc2OCc2cccnc2)cc1.
What is the InChIKey of N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is OOXSFPWJDBJZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S/c1-16-6-8-19(9-7-16)34(31,32)27-21-22(33-15-17-4-2-10-24-12-17)26-20(13-25-21)23(30)28-11-3-5-18(28)14-29/h2,4,6-10,12-13,18,29H,3,5,11,14-15H2,1H3,(H,25,27).
What are the key properties of N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 483.55 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).