N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide

C21H20ClN3O4S — CID 56530676

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20ClN3O4S/c22-17-5-8-19(20(15-17)24-9-1-2-10-24)23-21(26)16-3-6-18(7-4-16)30(27,28)25-11-13-29-14-12-25/h1-10,15H,11-14H2,(H,23,26)
InChIKeyTYVBRGXWMRNLCA-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.40
Rot. Bonds5

About N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 56530676) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID56530676
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20ClN3O4S/c22-17-5-8-19(20(15-17)24-9-1-2-10-24)23-21(26)16-3-6-18(7-4-16)30(27,28)25-11-13-29-14-12-25/h1-10,15H,11-14H2,(H,23,26)
InChIKeyTYVBRGXWMRNLCA-UHFFFAOYSA-N
XLogP3.40
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
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CID 163347502
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
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CID 8759383
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 26464649
N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 100679235

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide (CID 56530676) is N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is TYVBRGXWMRNLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c22-17-5-8-19(20(15-17)24-9-1-2-10-24)23-21(26)16-3-6-18(7-4-16)30(27,28)25-11-13-29-14-12-25/h1-10,15H,11-14H2,(H,23,26).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 445.93 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 56530676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).