N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide

C19H19ClN2O3S — CID 20963896

IUPACN-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3S/c1-25-18-8-10-19(11-9-18)26(23,24)21-13-17-3-2-12-22(17)14-15-4-6-16(20)7-5-15/h2-12,21H,13-14H2,1H3
InChIKeyAJZWCPALSAZTPG-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.68
Rot. Bonds7

About N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide

N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 20963896) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID20963896
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3S/c1-25-18-8-10-19(11-9-18)26(23,24)21-13-17-3-2-12-22(17)14-15-4-6-16(20)7-5-15/h2-12,21H,13-14H2,1H3
InChIKeyAJZWCPALSAZTPG-UHFFFAOYSA-N
XLogP3.68
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
CID 53000346
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 20963866
3-chloro-N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-fluorobenzenesulfonamide
CID 20963907
3,4-dimethoxy-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
CID 53000353
N-[(1-benzylpyrrol-2-yl)methyl]-3-chlorobenzenesulfonamide
CID 53000302
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
N-[(1-benzylpyrrol-2-yl)methyl]-4-methoxyaniline
CID 171341581
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
4-chloro-N-[2-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]ethyl]benzenesulfonamide
CID 139709183
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide (CID 20963896) is N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccn2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is AJZWCPALSAZTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-25-18-8-10-19(11-9-18)26(23,24)21-13-17-3-2-12-22(17)14-15-4-6-16(20)7-5-15/h2-12,21H,13-14H2,1H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide?
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 20963896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).