N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide

C19H19ClN4O4S — CID 170836257

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCC(O)c1cc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cn1-c1ccccn1
InChIInChI=1S/C19H19ClN4O4S/c1-12(25)17-7-13(11-24(17)18-5-3-4-6-21-18)19(26)22-15-8-14(20)9-16(10-15)23-29(2,27)28/h3-12,23,25H,1-2H3,(H,22,26)
InChIKeySRFBAIRGLATLGS-UHFFFAOYSA-N
MW434.91 g/mol
LogP3.20
Rot. Bonds6

About N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 170836257) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID170836257
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCC(O)c1cc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cn1-c1ccccn1
InChIInChI=1S/C19H19ClN4O4S/c1-12(25)17-7-13(11-24(17)18-5-3-4-6-21-18)19(26)22-15-8-14(20)9-16(10-15)23-29(2,27)28/h3-12,23,25H,1-2H3,(H,22,26)
InChIKeySRFBAIRGLATLGS-UHFFFAOYSA-N
XLogP3.20
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide (CID 170836257) is N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide is CC(O)c1cc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cn1-c1ccccn1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is SRFBAIRGLATLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c1-12(25)17-7-13(11-24(17)18-5-3-4-6-21-18)19(26)22-15-8-14(20)9-16(10-15)23-29(2,27)28/h3-12,23,25H,1-2H3,(H,22,26).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 434.91 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 170836257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).