4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide

C18H18ClN3O2S — CID 139709183

IUPAC4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccn1Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c19-16-5-7-18(8-6-16)25(23,24)21-11-9-17-4-2-12-22(17)14-15-3-1-10-20-13-15/h1-8,10,12-13,21H,9,11,14H2
InChIKeyKBWQZJREKQXTED-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.11
Rot. Bonds7

About 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide

4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide (PubChem CID 139709183) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide
PubChem CID139709183
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccn1Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c19-16-5-7-18(8-6-16)25(23,24)21-11-9-17-4-2-12-22(17)14-15-3-1-10-20-13-15/h1-8,10,12-13,21H,9,11,14H2
InChIKeyKBWQZJREKQXTED-UHFFFAOYSA-N
XLogP3.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[1-(pyridin-3-ylmethyl)indol-3-yl]ethyl]benzenesulfonamide
CID 122425596
3-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(pyridin-3-ylmethyl)pyrrol-2-yl]prop-2-enoic acid
CID 139709186
4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
CID 53000346
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 20963896
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(3-pyridin-3-ylpropyl)pyrrol-2-yl]-2-methylpropanoic acid
CID 139687194
4-chloro-N-[2-[4-[(E)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]phenyl]ethyl]benzenesulfonamide
CID 10364563
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yloctan-4-yl]sulfanylacetic acid
CID 11754506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide (CID 139709183) is 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1cccn1Cc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is KBWQZJREKQXTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-16-5-7-18(8-6-16)25(23,24)21-11-9-17-4-2-12-22(17)14-15-3-1-10-20-13-15/h1-8,10,12-13,21H,9,11,14H2.
What are the key properties of 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 139709183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).