N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide

C17H18ClNO3S — CID 134817954

IUPACN-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-19(13-3-4-14-5-7-15(18)8-6-14)23(20,21)17-11-9-16(22-2)10-12-17/h3-12H,13H2,1-2H3/b4-3+
InChIKeyNVDCARMIPGUPKJ-ONEGZZNKSA-N
MW351.86 g/mol
LogP3.68
Rot. Bonds6

About N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide

N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 134817954) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID134817954
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-19(13-3-4-14-5-7-15(18)8-6-14)23(20,21)17-11-9-16(22-2)10-12-17/h3-12H,13H2,1-2H3/b4-3+
InChIKeyNVDCARMIPGUPKJ-ONEGZZNKSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chlorobenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1360786
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005
(E)-1-(4-methoxyphenylsulfonyl)-5-phenyl-2,3,4,7-tetrahydro-1H-azepine
CID 25193144
1-(4-Chloro-benzyl)-4-(4-methoxy-benzenesulfonyl)-piperazine
CID 651944
4-(4-Chloro-phenyl)-1-(4-methoxy-benzenesulfonyl)-piperidin-4-ol
CID 654602
N'-[1-(4-chlorophenyl)ethylidene]-4-methoxybenzenesulfonohydrazide
CID 5332734
2-{4-chlorobenzyloxy[(4-methoxyphenyl)sulfonyl]amino}-N-hydroxyacetamide
CID 44423676
N-Benzyl-N-ethyl-4-methoxy-benzenesulfonamide
CID 742463
1-chloro-4-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 72188760
N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 3820728
N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 669091
4-[(4-chlorophenoxy)methyl]-N-ethynyl-N-methylbenzenesulfonamide
CID 172224166

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide (CID 134817954) is N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is NVDCARMIPGUPKJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-19(13-3-4-14-5-7-15(18)8-6-14)23(20,21)17-11-9-16(22-2)10-12-17/h3-12H,13H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 351.86 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 134817954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).