N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide

C16H16ClNO5S2 — CID 2566541

IUPACN-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C16H16ClNO5S2/c1-3-12-18(24(19,20)14-10-8-13(17)9-11-14)25(21,22)16-7-5-4-6-15(16)23-2/h3-11H,1,12H2,2H3
InChIKeyASKDVFMUFSFIMO-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.91
Rot. Bonds7

About N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide

N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 2566541) has the molecular formula C16H16ClNO5S2 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID2566541
Molecular FormulaC16H16ClNO5S2
Molecular Weight401.89 g/mol
Exact Mass401.02
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C16H16ClNO5S2/c1-3-12-18(24(19,20)14-10-8-13(17)9-11-14)25(21,22)16-7-5-4-6-15(16)23-2/h3-11H,1,12H2,2H3
InChIKeyASKDVFMUFSFIMO-UHFFFAOYSA-N
XLogP2.91
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100542077
3-chloro-N-(2-chlorophenyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100510758
N-[(3,5-dichlorophenyl)methyl]-2-methoxy-N-methylbenzenesulfonamide
CID 166187697
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide
CID 102204458
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
3-chloro-N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754667
5-bromo-2-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61059880
(2R)-2-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenyl)ethanamine
CID 9167310
N-(2-methoxyphenyl)sulfonyl-N-phenylprop-2-enamide
CID 89239390

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide (CID 2566541) is N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide is C=CCN(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1OC.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is ASKDVFMUFSFIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S2/c1-3-12-18(24(19,20)14-10-8-13(17)9-11-14)25(21,22)16-7-5-4-6-15(16)23-2/h3-11H,1,12H2,2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 401.89 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 2566541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).